Organoheterocyclic compounds
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4(1H)-Pyrimidinone, 98%, Thermo Scientific Chemicals
CAS: 4562-27-0 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00006664 InChI Key: DNCYBUMDUBHIJZ-UHFFFAOYSA-N Synonym: pyrimidin-4-ol,4-hydroxypyrimidine,4-pyrimidinol,4 3h-pyrimidone,pyrimidin-4 3h-one,4 3h-pyrimidinone,4-pyrimidone,4 1h-pyrimidinone,4-pyrimidinone,deaminoisocytosine PubChem CID: 20695 IUPAC Name: 1H-pyrimidin-6-one SMILES: C1=CN=CNC1=O
| PubChem CID | 20695 |
|---|---|
| CAS | 4562-27-0 |
| Molecular Weight (g/mol) | 96.089 |
| MDL Number | MFCD00006664 |
| SMILES | C1=CN=CNC1=O |
| Synonym | pyrimidin-4-ol,4-hydroxypyrimidine,4-pyrimidinol,4 3h-pyrimidone,pyrimidin-4 3h-one,4 3h-pyrimidinone,4-pyrimidone,4 1h-pyrimidinone,4-pyrimidinone,deaminoisocytosine |
| IUPAC Name | 1H-pyrimidin-6-one |
| InChI Key | DNCYBUMDUBHIJZ-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O |
4-Bromo-1H-indazole, 97+%
CAS: 186407-74-9 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD05664001 InChI Key: KJIODOACRIRBPB-UHFFFAOYSA-N Synonym: 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole PubChem CID: 22352548 IUPAC Name: 4-bromo-1H-indazole SMILES: C1=CC2=C(C=NN2)C(=C1)Br
| PubChem CID | 22352548 |
|---|---|
| CAS | 186407-74-9 |
| Molecular Weight (g/mol) | 197.035 |
| MDL Number | MFCD05664001 |
| SMILES | C1=CC2=C(C=NN2)C(=C1)Br |
| Synonym | 4-bromoindazole,1h-indazole, 4-bromo,4-bromo 1h indazole,4-bromo-indazole,bromo-1h-indazole,pubchem7834,4-bromo-2h-indazole,acmc-1bzds,4-bromanyl-1h-indazole |
| IUPAC Name | 4-bromo-1H-indazole |
| InChI Key | KJIODOACRIRBPB-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |
2-Amino-5-bromopyrimidine, 97%
CAS: 7752-82-1 Molecular Formula: C4H4BrN3 Molecular Weight (g/mol): 174.001 MDL Number: MFCD00012341 InChI Key: UHRHPPKWXSNZLR-UHFFFAOYSA-N Synonym: 2-amino-5-bromopyrimidine,5-bromopyrimidin-2-ylamine,2-pyrimidinamine, 5-bromo,5-bromo-2-aminopyrimidine,5-bromo-2-pyrimidinamine,pyrimidine, 2-amino-5-bromo,5-bromopyrimidine-2-amine,2-amino-5-bromo-pyrimidine,5-bromopyrimidine-2-ylamine,5-bromo-pyrimidin-2-ylamine PubChem CID: 231310 IUPAC Name: 5-bromopyrimidin-2-amine SMILES: C1=C(C=NC(=N1)N)Br
| PubChem CID | 231310 |
|---|---|
| CAS | 7752-82-1 |
| Molecular Weight (g/mol) | 174.001 |
| MDL Number | MFCD00012341 |
| SMILES | C1=C(C=NC(=N1)N)Br |
| Synonym | 2-amino-5-bromopyrimidine,5-bromopyrimidin-2-ylamine,2-pyrimidinamine, 5-bromo,5-bromo-2-aminopyrimidine,5-bromo-2-pyrimidinamine,pyrimidine, 2-amino-5-bromo,5-bromopyrimidine-2-amine,2-amino-5-bromo-pyrimidine,5-bromopyrimidine-2-ylamine,5-bromo-pyrimidin-2-ylamine |
| IUPAC Name | 5-bromopyrimidin-2-amine |
| InChI Key | UHRHPPKWXSNZLR-UHFFFAOYSA-N |
| Molecular Formula | C4H4BrN3 |
Cyclopiazonic acid, 98%
CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 MDL Number: MFCD00167445 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
| PubChem CID | 54711281 |
|---|---|
| CAS | 18172-33-3 |
| Molecular Weight (g/mol) | 336.391 |
| MDL Number | MFCD00167445 |
| SMILES | CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O |
| Synonym | cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 |
| InChI Key | SZINUGQCTHLQAZ-AFAVFJNCSA-N |
| Molecular Formula | C20H20N2O3 |
Pyridine-4-boronic acid pinacol ester, 98%, Thermo Scientific Chemicals
CAS: 181219-01-2 Molecular Formula: C11H16BNO2 Molecular Weight (g/mol): 205.06 MDL Number: MFCD01319051 InChI Key: NLTIETZTDSJANS-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,4-pyridineboronic acid pinacol ester,pyridine-4-boronic acid pinacol ester,4-pyridylboronic acid pinacol ester,pyridine-4-boronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine-4-boronic pinacolate,pyridine-4-boronic acid pinacol cyclic ester,2-4-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pyridine-4-boronic pinacol ester PubChem CID: 2734648 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=CC=NC=C1
| PubChem CID | 2734648 |
|---|---|
| CAS | 181219-01-2 |
| Molecular Weight (g/mol) | 205.06 |
| MDL Number | MFCD01319051 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=NC=C1 |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,4-pyridineboronic acid pinacol ester,pyridine-4-boronic acid pinacol ester,4-pyridylboronic acid pinacol ester,pyridine-4-boronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine-4-boronic pinacolate,pyridine-4-boronic acid pinacol cyclic ester,2-4-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,pyridine-4-boronic pinacol ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | NLTIETZTDSJANS-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO2 |
2-Pyrazinecarboxylic acid, 99%
CAS: 98-97-5 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.1 MDL Number: MFCD00006130 InChI Key: NIPZZXUFJPQHNH-UHFFFAOYSA-N Synonym: 2-pyrazinecarboxylic acid,pyrazinoic acid,pyrazinecarboxylic acid,pyrazinic acid,2-carboxypyrazine,paradiazinecarboxylic acid,pyrazinemonocarboxylic acid,2-pyrazinoic acid,2-pyrazine carboxylic acid,piazinecarboxylic acid PubChem CID: 1047 ChEBI: CHEBI:71311 IUPAC Name: pyrazine-2-carboxylic acid SMILES: C1=CN=C(C=N1)C(=O)O
| PubChem CID | 1047 |
|---|---|
| CAS | 98-97-5 |
| Molecular Weight (g/mol) | 124.1 |
| ChEBI | CHEBI:71311 |
| MDL Number | MFCD00006130 |
| SMILES | C1=CN=C(C=N1)C(=O)O |
| Synonym | 2-pyrazinecarboxylic acid,pyrazinoic acid,pyrazinecarboxylic acid,pyrazinic acid,2-carboxypyrazine,paradiazinecarboxylic acid,pyrazinemonocarboxylic acid,2-pyrazinoic acid,2-pyrazine carboxylic acid,piazinecarboxylic acid |
| IUPAC Name | pyrazine-2-carboxylic acid |
| InChI Key | NIPZZXUFJPQHNH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
7-Bromo-6-chloro-7-deazapurine, 97%, Thermo Scientific Chemicals
CAS: 22276-95-5 Molecular Formula: C6H3BrClN3 Molecular Weight (g/mol): 232.465 MDL Number: MFCD09702029 InChI Key: OXLMTRZWMHIZBY-UHFFFAOYSA-N Synonym: 5-bromo-4-chloro-7h-pyrrolo 2,3-d pyrimidine,7-bromo-6-chloro-7-deazapurine,4-chloro-5-bromo-7h-pyrrolo 2,3-d pyrimidine,7h-pyrrolo 2,3-d pyrimidine, 5-bromo-4-chloro,7-deaza-7-bromo-6-chloropurine,5-bromo-4-chloropyrrolo 2,3-d pyrimidine,5-bromo-4-chloro-1h-pyrrolo 2,3-d pyrimidine,7-bromo-5-chloro-2,4,9-triazabicyclo 4.3.0 nona-2,4,7,10-tetraene,pubchem14950,acmc-209zzo PubChem CID: 5380710 IUPAC Name: 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine SMILES: C1=C(C2=C(N1)N=CN=C2Cl)Br
| PubChem CID | 5380710 |
|---|---|
| CAS | 22276-95-5 |
| Molecular Weight (g/mol) | 232.465 |
| MDL Number | MFCD09702029 |
| SMILES | C1=C(C2=C(N1)N=CN=C2Cl)Br |
| Synonym | 5-bromo-4-chloro-7h-pyrrolo 2,3-d pyrimidine,7-bromo-6-chloro-7-deazapurine,4-chloro-5-bromo-7h-pyrrolo 2,3-d pyrimidine,7h-pyrrolo 2,3-d pyrimidine, 5-bromo-4-chloro,7-deaza-7-bromo-6-chloropurine,5-bromo-4-chloropyrrolo 2,3-d pyrimidine,5-bromo-4-chloro-1h-pyrrolo 2,3-d pyrimidine,7-bromo-5-chloro-2,4,9-triazabicyclo 4.3.0 nona-2,4,7,10-tetraene,pubchem14950,acmc-209zzo |
| IUPAC Name | 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine |
| InChI Key | OXLMTRZWMHIZBY-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClN3 |
1-methyl-1H-indole-4-carbonitrile, Thermo Scientific™
CAS: 628711-58-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD08690265 InChI Key: DYOVHBKIEBCIIE-UHFFFAOYSA-N PubChem CID: 22391592 SMILES: CN1C=CC2=C(C=CC=C12)C#N
| PubChem CID | 22391592 |
|---|---|
| CAS | 628711-58-0 |
| Molecular Weight (g/mol) | 156.19 |
| MDL Number | MFCD08690265 |
| SMILES | CN1C=CC2=C(C=CC=C12)C#N |
| InChI Key | DYOVHBKIEBCIIE-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
n-methyl-(1-methyl-1h-indol-7-yl)methylamine, 90%, Thermo Scientific™
CAS: 709649-75-2 Molecular Formula: C11H14N2 Molecular Weight (g/mol): 174.247 MDL Number: MFCD11506353 InChI Key: JERMRTDADLXHSD-UHFFFAOYSA-N Synonym: methyl 1-methylindol-7-yl methyl amine,n-methyl-1-1-methyl-1h-indol-7-yl methylamine,n-methyl-1-methyl-1h-indol-7-yl methylamine,1h-indole-7-methanamine, n,1-dimethyl,n-methyl-1-1-methyl-1h-indol-7-yl methanamine,1h-indole-7-methanamine,n,1-dimethyl,methyl-1-methyl-1h-indol-7-ylmethyl amine,7-methylamino methyl-1-methyl-1h-indole,methyl 1-methyl-1h-indol-7-yl methyl amine PubChem CID: 33589520 IUPAC Name: N-methyl-1-(1-methylindol-7-yl)methanamine SMILES: CNCC1=CC=CC2=C1N(C=C2)C
| PubChem CID | 33589520 |
|---|---|
| CAS | 709649-75-2 |
| Molecular Weight (g/mol) | 174.247 |
| MDL Number | MFCD11506353 |
| SMILES | CNCC1=CC=CC2=C1N(C=C2)C |
| Synonym | methyl 1-methylindol-7-yl methyl amine,n-methyl-1-1-methyl-1h-indol-7-yl methylamine,n-methyl-1-methyl-1h-indol-7-yl methylamine,1h-indole-7-methanamine, n,1-dimethyl,n-methyl-1-1-methyl-1h-indol-7-yl methanamine,1h-indole-7-methanamine,n,1-dimethyl,methyl-1-methyl-1h-indol-7-ylmethyl amine,7-methylamino methyl-1-methyl-1h-indole,methyl 1-methyl-1h-indol-7-yl methyl amine |
| IUPAC Name | N-methyl-1-(1-methylindol-7-yl)methanamine |
| InChI Key | JERMRTDADLXHSD-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2 |
3-Isochromanone, Thermo Scientific Chemicals
CAS: 4385-35-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 InChI Key: ILHLUZUMRJQEAH-UHFFFAOYSA-N IUPAC Name: 3,4-dihydro-1H-2-benzopyran-3-one SMILES: O=C1CC2=CC=CC=C2CO1
| CAS | 4385-35-7 |
|---|---|
| Molecular Weight (g/mol) | 148.16 |
| SMILES | O=C1CC2=CC=CC=C2CO1 |
| IUPAC Name | 3,4-dihydro-1H-2-benzopyran-3-one |
| InChI Key | ILHLUZUMRJQEAH-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine, 98%
CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
| PubChem CID | 2094 |
|---|---|
| CAS | 315-30-0 |
| Molecular Weight (g/mol) | 136.11 |
| ChEBI | CHEBI:40279 |
| MDL Number | MFCD00599413 |
| SMILES | O=C1N=CN=C2NNC=C12 |
| Synonym | allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin |
| IUPAC Name | 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one |
| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O |
4-Methyl-1H-pyrazole, 97+%
CAS: 7554-65-6 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00005245 InChI Key: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC Name: 4-methyl-1H-pyrazole SMILES: CC1=CNN=C1
| PubChem CID | 3406 |
|---|---|
| CAS | 7554-65-6 |
| Molecular Weight (g/mol) | 82.106 |
| ChEBI | CHEBI:5141 |
| MDL Number | MFCD00005245 |
| SMILES | CC1=CNN=C1 |
| Synonym | 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn |
| IUPAC Name | 4-methyl-1H-pyrazole |
| InChI Key | RIKMMFOAQPJVMX-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
Nitrofurantoin, 98%
CAS: 67-20-9 Molecular Formula: C8H6N4O5 Molecular Weight (g/mol): 238.16 MDL Number: MFCD00003224 InChI Key: NXFQHRVNIOXGAQ-YCRREMRBSA-N Synonym: nitrofurantoin,macrodantin,5-nitrofurantoin,furadantin,furadonine,nitrofurantoine,furadantine,furadantoin,furadoine,furadontin PubChem CID: 6604200 ChEBI: CHEBI:71415 IUPAC Name: 1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione SMILES: [O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O
| PubChem CID | 6604200 |
|---|---|
| CAS | 67-20-9 |
| Molecular Weight (g/mol) | 238.16 |
| ChEBI | CHEBI:71415 |
| MDL Number | MFCD00003224 |
| SMILES | [O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O |
| Synonym | nitrofurantoin,macrodantin,5-nitrofurantoin,furadantin,furadonine,nitrofurantoine,furadantine,furadantoin,furadoine,furadontin |
| IUPAC Name | 1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione |
| InChI Key | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
| Molecular Formula | C8H6N4O5 |
4-Carboxybenzeneboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 180516-87-4 Molecular Formula: C13H17BO4 Molecular Weight (g/mol): 248.09 MDL Number: MFCD01863710 InChI Key: IYDKBQIEOBXLTP-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,4-carboxyphenylboronic acid pinacol ester,4-carboxylphenylboronic acid pinacol ester,4-carboxyphenylboronic acid, pinacol ester,4-carboxyphenylboronicacidpinacolester,4-carboxybenzeneboronic acid pinacol ester,4-carboxyphenylboronic acid pinacolate,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,4-carboxyphenylboronic acid,pinacol ester,4-carboxyphenyl boronic acid, pinacol ester PubChem CID: 2734621 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 2734621 |
|---|---|
| CAS | 180516-87-4 |
| Molecular Weight (g/mol) | 248.09 |
| MDL Number | MFCD01863710 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(O)=O |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,4-carboxyphenylboronic acid pinacol ester,4-carboxylphenylboronic acid pinacol ester,4-carboxyphenylboronic acid, pinacol ester,4-carboxyphenylboronicacidpinacolester,4-carboxybenzeneboronic acid pinacol ester,4-carboxyphenylboronic acid pinacolate,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoic acid,4-carboxyphenylboronic acid,pinacol ester,4-carboxyphenyl boronic acid, pinacol ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| InChI Key | IYDKBQIEOBXLTP-UHFFFAOYSA-N |
| Molecular Formula | C13H17BO4 |
N,N'-Di-Boc-1H-pyrazole-1-carboxamidine, 98+%
CAS: 152120-54-2 Molecular Formula: C14H22N4O4 Molecular Weight (g/mol): 310.354 MDL Number: MFCD01075122 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
| PubChem CID | 6383521 |
|---|---|
| CAS | 152120-54-2 |
| Molecular Weight (g/mol) | 310.354 |
| MDL Number | MFCD01075122 |
| SMILES | CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1 |
| Synonym | n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole |
| IUPAC Name | tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate |
| InChI Key | QFNFDHNZVTWZED-UHFFFAOYSA-N |
| Molecular Formula | C14H22N4O4 |