Organoheterocyclic compounds
Filtered Search Results
5-Bromogramine
CAS: 830-93-3 Molecular Formula: C11H13BrN2 Molecular Weight (g/mol): 253.14 InChI Key: FSERHDPEOFYMMK-UHFFFAOYSA-N Synonym: 5-bromogramine,1-5-bromo-1h-indol-3-yl-n,n-dimethylmethanamine,indole, 5-bromo-3-dimethylamino methyl,5-bromo-1h-indol-3-yl methyl dimethylamine,5-bromo-3-dimethylaminomethyl indole,5-bromogramine crystalline,5-bromo-n,n-dimethyl-1h-indole-3-methanamine,1h-indole-3-methanamine, 5-bromo-n,n-dimethyl,4-22-00-04316 beilstein handbook reference,5-bromo-1h-indol-3-ylmethyl-dimethyl-amine PubChem CID: 13249 IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)Br
| PubChem CID | 13249 |
|---|---|
| CAS | 830-93-3 |
| Molecular Weight (g/mol) | 253.14 |
| SMILES | CN(C)CC1=CNC2=C1C=C(C=C2)Br |
| Synonym | 5-bromogramine,1-5-bromo-1h-indol-3-yl-n,n-dimethylmethanamine,indole, 5-bromo-3-dimethylamino methyl,5-bromo-1h-indol-3-yl methyl dimethylamine,5-bromo-3-dimethylaminomethyl indole,5-bromogramine crystalline,5-bromo-n,n-dimethyl-1h-indole-3-methanamine,1h-indole-3-methanamine, 5-bromo-n,n-dimethyl,4-22-00-04316 beilstein handbook reference,5-bromo-1h-indol-3-ylmethyl-dimethyl-amine |
| IUPAC Name | 1-(5-bromo-1H-indol-3-yl)-N,N-dimethylmethanamine |
| InChI Key | FSERHDPEOFYMMK-UHFFFAOYSA-N |
| Molecular Formula | C11H13BrN2 |
2-Methylbenzo[b]thiophene, 98%
CAS: 1195-14-8 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00216250 InChI Key: BLZKSRBAQDZAIX-UHFFFAOYSA-N PubChem CID: 70952 IUPAC Name: 2-methyl-1-benzothiophene SMILES: CC1=CC2=CC=CC=C2S1
| PubChem CID | 70952 |
|---|---|
| CAS | 1195-14-8 |
| Molecular Weight (g/mol) | 148.22 |
| MDL Number | MFCD00216250 |
| SMILES | CC1=CC2=CC=CC=C2S1 |
| IUPAC Name | 2-methyl-1-benzothiophene |
| InChI Key | BLZKSRBAQDZAIX-UHFFFAOYSA-N |
| Molecular Formula | C9H8S |
Pyridine-3,5-dicarboxylic acid, 98%
CAS: 499-81-0 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006393 InChI Key: MPFLRYZEEAQMLQ-UHFFFAOYSA-N Synonym: 3,5-pyridinedicarboxylic acid,dinicotinic acid,5-carboxynicotinic acid,3,5-pyridinedicarboxylicacid,3,5-pyridindicarbons,3,5-dipyridinecarboxylic acid,pubchem8057,acmc-209kjb,5-carboxy nicotinic acid,pyridine carboxylate, 6f PubChem CID: 10366 ChEBI: CHEBI:46875 IUPAC Name: pyridine-3,5-dicarboxylic acid SMILES: OC(=O)C1=CC(=CN=C1)C(O)=O
| PubChem CID | 10366 |
|---|---|
| CAS | 499-81-0 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46875 |
| MDL Number | MFCD00006393 |
| SMILES | OC(=O)C1=CC(=CN=C1)C(O)=O |
| Synonym | 3,5-pyridinedicarboxylic acid,dinicotinic acid,5-carboxynicotinic acid,3,5-pyridinedicarboxylicacid,3,5-pyridindicarbons,3,5-dipyridinecarboxylic acid,pubchem8057,acmc-209kjb,5-carboxy nicotinic acid,pyridine carboxylate, 6f |
| IUPAC Name | pyridine-3,5-dicarboxylic acid |
| InChI Key | MPFLRYZEEAQMLQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
N-Methyl-N-((4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl)amine, 97%, Thermo Scientific™
CAS: 850375-02-9 Molecular Formula: C12H14N2S Molecular Weight (g/mol): 218.318 MDL Number: MFCD07368511 InChI Key: GFAGRBRYZWAUSV-UHFFFAOYSA-N Synonym: n-methyl-n-4-methyl-2-phenyl-1,3-thiazol-5-yl methyl amine,n-methyl-1-4-methyl-2-phenyl-1,3-thiazol-5-yl methanamine,methyl 4-methyl-2-phenyl-1,3-thiazol-5-yl methyl amine,5-thiazolemethanamine,n,4-dimethyl-2-phenyl,n-methyl-1-4-methyl-2-phenylthiazol-5-yl methanamine,methyl 4-methyl-2-phenyl 1,3-thiazol-5-yl methyl amine,mmj PubChem CID: 4961253 IUPAC Name: N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)CNC
| PubChem CID | 4961253 |
|---|---|
| CAS | 850375-02-9 |
| Molecular Weight (g/mol) | 218.318 |
| MDL Number | MFCD07368511 |
| SMILES | CC1=C(SC(=N1)C2=CC=CC=C2)CNC |
| Synonym | n-methyl-n-4-methyl-2-phenyl-1,3-thiazol-5-yl methyl amine,n-methyl-1-4-methyl-2-phenyl-1,3-thiazol-5-yl methanamine,methyl 4-methyl-2-phenyl-1,3-thiazol-5-yl methyl amine,5-thiazolemethanamine,n,4-dimethyl-2-phenyl,n-methyl-1-4-methyl-2-phenylthiazol-5-yl methanamine,methyl 4-methyl-2-phenyl 1,3-thiazol-5-yl methyl amine,mmj |
| IUPAC Name | N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine |
| InChI Key | GFAGRBRYZWAUSV-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2S |
Ethyl 3-(chlorosulfonyl)isonicotinate, 95%, Thermo Scientific™
CAS: 306936-12-9 Molecular Formula: C8H8ClNO4S Molecular Weight (g/mol): 249.665 InChI Key: USJWOJZNWZSBGK-UHFFFAOYSA-N Synonym: ethyl 3-chlorosulfonyl isonicotinate,ethyl 3-chlorosulfonyl pyridine-4-carboxylate,ethyl-3-chlorosulphonylpyridine-4-carboxylate,ethyl 3-chlorosulphonyl pyridine-4-carboxylate,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester 9ci PubChem CID: 2736400 IUPAC Name: ethyl 3-chlorosulfonylpyridine-4-carboxylate SMILES: CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl
| PubChem CID | 2736400 |
|---|---|
| CAS | 306936-12-9 |
| Molecular Weight (g/mol) | 249.665 |
| SMILES | CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl |
| Synonym | ethyl 3-chlorosulfonyl isonicotinate,ethyl 3-chlorosulfonyl pyridine-4-carboxylate,ethyl-3-chlorosulphonylpyridine-4-carboxylate,ethyl 3-chlorosulphonyl pyridine-4-carboxylate,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester 9ci |
| IUPAC Name | ethyl 3-chlorosulfonylpyridine-4-carboxylate |
| InChI Key | USJWOJZNWZSBGK-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO4S |
Melatonin, MP Biomedicals
CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
| PubChem CID | 896 |
|---|---|
| CAS | 73-31-4 |
| Molecular Weight (g/mol) | 232.283 |
| ChEBI | CHEBI:16796 |
| MDL Number | MFCD00005655 |
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| Synonym | melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine |
| IUPAC Name | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| InChI Key | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O2 |
6-Bromophthalazin-1(4H)-one, 98%
CAS: 75884-70-7 Molecular Formula: C8H5BrN2O Molecular Weight (g/mol): 225.05 MDL Number: MFCD09264003 InChI Key: QMONLZVJOOMKRW-UHFFFAOYSA-N PubChem CID: 11535918 IUPAC Name: 6-bromo-1,2-dihydrophthalazin-1-one SMILES: BrC1=CC=C2C(=O)NN=CC2=C1
| PubChem CID | 11535918 |
|---|---|
| CAS | 75884-70-7 |
| Molecular Weight (g/mol) | 225.05 |
| MDL Number | MFCD09264003 |
| SMILES | BrC1=CC=C2C(=O)NN=CC2=C1 |
| IUPAC Name | 6-bromo-1,2-dihydrophthalazin-1-one |
| InChI Key | QMONLZVJOOMKRW-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrN2O |
5-Mercapto-1-methyltetrazole, 98%
CAS: 13183-79-4 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00037317 InChI Key: XOHZHMUQBFJTNH-UHFFFAOYSA-N Synonym: 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl PubChem CID: 2723772 IUPAC Name: 1-methyl-2H-tetrazole-5-thione SMILES: CN1NN=NC1=S
| PubChem CID | 2723772 |
|---|---|
| CAS | 13183-79-4 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00037317 |
| SMILES | CN1NN=NC1=S |
| Synonym | 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl |
| IUPAC Name | 1-methyl-2H-tetrazole-5-thione |
| InChI Key | XOHZHMUQBFJTNH-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4S |
2-Amino-3-chloropyridine, 95%
CAS: 39620-04-7 Molecular Formula: C5H5ClN2 Molecular Weight (g/mol): 128.559 MDL Number: MFCD03541052 InChI Key: RZJPBQGRCNJYBU-UHFFFAOYSA-N Synonym: 2-amino-3-chloropyridine,3-chloro-pyridin-2-ylamine,2-amino-3-chloro pyridine,3-chloro-2-pyridinamine,3-chloro-2-pyridinylamine,2-pyridinamine, 3-chloro,3-chloro-2-pyridylamine,2-amino-3-chloro-pyridine,3-chloranylpyridin-2-amine,o-aminochloropyridine PubChem CID: 693267 IUPAC Name: 3-chloropyridin-2-amine SMILES: C1=CC(=C(N=C1)N)Cl
| PubChem CID | 693267 |
|---|---|
| CAS | 39620-04-7 |
| Molecular Weight (g/mol) | 128.559 |
| MDL Number | MFCD03541052 |
| SMILES | C1=CC(=C(N=C1)N)Cl |
| Synonym | 2-amino-3-chloropyridine,3-chloro-pyridin-2-ylamine,2-amino-3-chloro pyridine,3-chloro-2-pyridinamine,3-chloro-2-pyridinylamine,2-pyridinamine, 3-chloro,3-chloro-2-pyridylamine,2-amino-3-chloro-pyridine,3-chloranylpyridin-2-amine,o-aminochloropyridine |
| IUPAC Name | 3-chloropyridin-2-amine |
| InChI Key | RZJPBQGRCNJYBU-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2 |
Dimethyl pyridine-2,5-dicarboxylate, 97%
CAS: 881-86-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00034767 InChI Key: TUGSJNQAIMFEDY-UHFFFAOYSA-N Synonym: dimethyl 2,5-pyridinedicarboxylate,2,5-pyridinedicarboxylic acid, dimethyl ester,dimethylpyridine-2,5-dicarboxylate,2,5-dimethyl pyridine-2,5-dicarboxylate,dimethyl isocinchomeronate,pyridine-2,5-dicarboxylic acid dimethyl ester,dimethyl 2,5-pyridine dicarboxylate,acmc-1bkgx,maybridge1_006391,methyl 6-methoxycarbonylnicotinate PubChem CID: 234911 IUPAC Name: dimethyl pyridine-2,5-dicarboxylate SMILES: COC(=O)C1=CN=C(C=C1)C(=O)OC
| PubChem CID | 234911 |
|---|---|
| CAS | 881-86-7 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00034767 |
| SMILES | COC(=O)C1=CN=C(C=C1)C(=O)OC |
| Synonym | dimethyl 2,5-pyridinedicarboxylate,2,5-pyridinedicarboxylic acid, dimethyl ester,dimethylpyridine-2,5-dicarboxylate,2,5-dimethyl pyridine-2,5-dicarboxylate,dimethyl isocinchomeronate,pyridine-2,5-dicarboxylic acid dimethyl ester,dimethyl 2,5-pyridine dicarboxylate,acmc-1bkgx,maybridge1_006391,methyl 6-methoxycarbonylnicotinate |
| IUPAC Name | dimethyl pyridine-2,5-dicarboxylate |
| InChI Key | TUGSJNQAIMFEDY-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
3-Methylisoxazole-4-carboxylic acid, 98+%, Thermo Scientific Chemicals
CAS: 17153-20-7 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318161 InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N Synonym: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=NOC=C1C(=O)O
| PubChem CID | 4589692 |
|---|---|
| CAS | 17153-20-7 |
| Molecular Weight (g/mol) | 127.099 |
| MDL Number | MFCD01318161 |
| SMILES | CC1=NOC=C1C(=O)O |
| Synonym | 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl |
| IUPAC Name | 3-methyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | YBLSBWHFPXDRHC-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3 |
6-Cyanonicotinic acid, 97%
CAS: 70165-31-0 Molecular Formula: C7H4N2O2 Molecular Weight (g/mol): 148.121 MDL Number: MFCD01318135 InChI Key: WMHSQCDPPJRWIL-UHFFFAOYSA-N Synonym: 6-cyanonicotinic acid,2-cyano-5-carboxypyridine,6-cyanonicotinicacid,3-pyridinecarboxylic acid, 6-cyano,5-carboxypicolinonitrile,3-pyridinecarboxylicacid, 6-cyano,6-cyano-3-pyridinecarboxylic acid,6-cyano-nicotinic acid,pubchem16844,6-cyanonicotinic acid, PubChem CID: 2761108 IUPAC Name: 6-cyanopyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)C#N
| PubChem CID | 2761108 |
|---|---|
| CAS | 70165-31-0 |
| Molecular Weight (g/mol) | 148.121 |
| MDL Number | MFCD01318135 |
| SMILES | C1=CC(=NC=C1C(=O)O)C#N |
| Synonym | 6-cyanonicotinic acid,2-cyano-5-carboxypyridine,6-cyanonicotinicacid,3-pyridinecarboxylic acid, 6-cyano,5-carboxypicolinonitrile,3-pyridinecarboxylicacid, 6-cyano,6-cyano-3-pyridinecarboxylic acid,6-cyano-nicotinic acid,pubchem16844,6-cyanonicotinic acid, |
| IUPAC Name | 6-cyanopyridine-3-carboxylic acid |
| InChI Key | WMHSQCDPPJRWIL-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O2 |
2,3-Difluoro-4-(trifluoromethyl)pyridine, 97%, Thermo Scientific™
CAS: 1215034-77-7 Molecular Formula: C6H2F5N Molecular Weight (g/mol): 183.07 InChI Key: ZOMVJIOHXSXCIP-UHFFFAOYSA-N Synonym: 2,3-difluoro-4-trifluoromethyl pyridine,alpha,alpha,alpha,2,3-pentafluoro-4-picoline PubChem CID: 13491638 IUPAC Name: 2,3-difluoro-4-(trifluoromethyl)pyridine SMILES: C1=CN=C(C(=C1C(F)(F)F)F)F
| PubChem CID | 13491638 |
|---|---|
| CAS | 1215034-77-7 |
| Molecular Weight (g/mol) | 183.07 |
| SMILES | C1=CN=C(C(=C1C(F)(F)F)F)F |
| Synonym | 2,3-difluoro-4-trifluoromethyl pyridine,alpha,alpha,alpha,2,3-pentafluoro-4-picoline |
| IUPAC Name | 2,3-difluoro-4-(trifluoromethyl)pyridine |
| InChI Key | ZOMVJIOHXSXCIP-UHFFFAOYSA-N |
| Molecular Formula | C6H2F5N |
2-Chloro-4-(trifluoromethyl)nicotinic acid, 97%, Thermo Scientific™
CAS: 590371-81-6 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD08458125 InChI Key: FZIJHEOXLKCIRZ-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl nicotinic acid,2-chloro-4-trifluoromethyl pyridine-3-carboxylic acid,3-carboxy-2-chloro-4-trifluoromethyl pyridine,acmc-1az7h,ksc269c2b,3-pyridinecarboxylicacid, 2-chloro-4-trifluoromethyl,3-pyridinecarboxylic acid, 2-chloro-4-trifluoromethyl,2-chloro-4-trifluoromethyl-3-pyridinecarboxylic acid PubChem CID: 11770138 IUPAC Name: 2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid SMILES: OC(=O)C1=C(C=CN=C1Cl)C(F)(F)F
| PubChem CID | 11770138 |
|---|---|
| CAS | 590371-81-6 |
| Molecular Weight (g/mol) | 225.55 |
| MDL Number | MFCD08458125 |
| SMILES | OC(=O)C1=C(C=CN=C1Cl)C(F)(F)F |
| Synonym | 2-chloro-4-trifluoromethyl nicotinic acid,2-chloro-4-trifluoromethyl pyridine-3-carboxylic acid,3-carboxy-2-chloro-4-trifluoromethyl pyridine,acmc-1az7h,ksc269c2b,3-pyridinecarboxylicacid, 2-chloro-4-trifluoromethyl,3-pyridinecarboxylic acid, 2-chloro-4-trifluoromethyl,2-chloro-4-trifluoromethyl-3-pyridinecarboxylic acid |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI Key | FZIJHEOXLKCIRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF3NO2 |
Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%
CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
| PubChem CID | 2723654 |
|---|---|
| CAS | 362-75-4 |
| Molecular Weight (g/mol) | 307.31 |
| MDL Number | MFCD00005756 |
| SMILES | CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12 |
| Synonym | 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 |
| IUPAC Name | [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol |
| InChI Key | LCCLUOXEZAHUNS-AUWRGFAENA-N |
| Molecular Formula | C13H17N5O4 |