Organoheterocyclic compounds
Filtered Search Results
Thiabendazole, 98+%
CAS: 148-79-8 Molecular Formula: C10H7N3S Molecular Weight (g/mol): 201.247 MDL Number: MFCD00005587 InChI Key: WJCNZQLZVWNLKY-UHFFFAOYSA-N Synonym: thiabendazole,tiabendazole,mintezol,equizole,tiabendazol,mintesol,omnizole,thibenzole,thiabendazol,bovizole PubChem CID: 5430 ChEBI: CHEBI:45979 IUPAC Name: 4-(1H-benzimidazol-2-yl)-1,3-thiazole SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
| PubChem CID | 5430 |
|---|---|
| CAS | 148-79-8 |
| Molecular Weight (g/mol) | 201.247 |
| ChEBI | CHEBI:45979 |
| MDL Number | MFCD00005587 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 |
| Synonym | thiabendazole,tiabendazole,mintezol,equizole,tiabendazol,mintesol,omnizole,thibenzole,thiabendazol,bovizole |
| IUPAC Name | 4-(1H-benzimidazol-2-yl)-1,3-thiazole |
| InChI Key | WJCNZQLZVWNLKY-UHFFFAOYSA-N |
| Molecular Formula | C10H7N3S |
Castanospermine, 99%
CAS: 79831-76-8 Molecular Formula: C8H15NO4 Molecular Weight (g/mol): 189.211 MDL Number: MFCD00017555 InChI Key: JDVVGAQPNNXQDW-TVNFTVLESA-N Synonym: castanospermine,castinospermine,1,6,7,8-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-1,6,7,8-tetrahydroxyindolizidine,6-epicastanospermine,unii-q0i3184xm7,6,7-diepicastanospermine,castanospermine, castanospermum australe,1s,6s,7r,8ar-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-octahydroindolizine-1,6,7,8-tetrol PubChem CID: 54445 ChEBI: CHEBI:27860 IUPAC Name: (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol SMILES: C1CN2CC(C(C(C2C1O)O)O)O
| PubChem CID | 54445 |
|---|---|
| CAS | 79831-76-8 |
| Molecular Weight (g/mol) | 189.211 |
| ChEBI | CHEBI:27860 |
| MDL Number | MFCD00017555 |
| SMILES | C1CN2CC(C(C(C2C1O)O)O)O |
| Synonym | castanospermine,castinospermine,1,6,7,8-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-1,6,7,8-tetrahydroxyindolizidine,6-epicastanospermine,unii-q0i3184xm7,6,7-diepicastanospermine,castanospermine, castanospermum australe,1s,6s,7r,8ar-tetrahydroxyoctahydroindolizine,1s,6s,7r,8r,8ar-octahydroindolizine-1,6,7,8-tetrol |
| IUPAC Name | (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol |
| InChI Key | JDVVGAQPNNXQDW-TVNFTVLESA-N |
| Molecular Formula | C8H15NO4 |
3-Tropanylindole-3-carboxylate hydrochloride, Thermo Scientific Chemicals
CAS: 105826-92-4 Molecular Formula: C17H21ClN2O2 Molecular Weight (g/mol): 320.817 MDL Number: MFCD00210221 InChI Key: XIEGSJAEZIGKSA-ICHLHHFLSA-N Synonym: sdz-ics 930 PubChem CID: 71300439 IUPAC Name: [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
| PubChem CID | 71300439 |
|---|---|
| CAS | 105826-92-4 |
| Molecular Weight (g/mol) | 320.817 |
| MDL Number | MFCD00210221 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl |
| Synonym | sdz-ics 930 |
| IUPAC Name | [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride |
| InChI Key | XIEGSJAEZIGKSA-ICHLHHFLSA-N |
| Molecular Formula | C17H21ClN2O2 |
Zaprinast, 98+%
CAS: 37762-06-4 Molecular Formula: C13H13N5O2 Molecular Weight (g/mol): 271.28 MDL Number: MFCD00214073 InChI Key: REZGGXNDEMKIQB-UHFFFAOYSA-N Synonym: zaprinast,zaprinastum inn-latin,unii-gxt25d5ds0,8-aza-2-2-propoxyphenyl-6-purinone,tocris-0947,2-o-propoxyphenyl-8-azapurine-6-one,2-o-propoxyphenyl-8-azapurin-6-one,gxt25d5ds0,2-2-propoxyphenyl-8-aza-6-purinone,5-2-propoxyphenyl-1h-1,2,3 triazolo 4,5-d pyrimidin-7-ol PubChem CID: 5722 IUPAC Name: 5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: CCCOC1=CC=CC=C1C2=NC(=O)C3=NNNC3=N2
| PubChem CID | 5722 |
|---|---|
| CAS | 37762-06-4 |
| Molecular Weight (g/mol) | 271.28 |
| MDL Number | MFCD00214073 |
| SMILES | CCCOC1=CC=CC=C1C2=NC(=O)C3=NNNC3=N2 |
| Synonym | zaprinast,zaprinastum inn-latin,unii-gxt25d5ds0,8-aza-2-2-propoxyphenyl-6-purinone,tocris-0947,2-o-propoxyphenyl-8-azapurine-6-one,2-o-propoxyphenyl-8-azapurin-6-one,gxt25d5ds0,2-2-propoxyphenyl-8-aza-6-purinone,5-2-propoxyphenyl-1h-1,2,3 triazolo 4,5-d pyrimidin-7-ol |
| IUPAC Name | 5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one |
| InChI Key | REZGGXNDEMKIQB-UHFFFAOYSA-N |
| Molecular Formula | C13H13N5O2 |
Bisindolylmaleimide 1, Thermo Scientific Chemicals
CAS: 133052-90-1 Molecular Formula: C25H24N4O2 Molecular Weight (g/mol): 412.493 MDL Number: MFCD00236428 InChI Key: QMGUOJYZJKLOLH-UHFFFAOYSA-N Synonym: bisindolylmaleimide i,unii-l79h6n0v6c,rbt205 inhibitor,gö 6850,bisindolylmaleimide i gf 109203x,bim-1,chembl7463,2-1-3-dimethylaminopropyl indol-3-yl-3-indol-3-yl maleimide,3-1-3-dimethylamino propyl-1h-indol-3-yl-4-1h-indol-3-yl-1h-pyrrole-2,5-dione PubChem CID: 2396 ChEBI: CHEBI:41072 IUPAC Name: 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione SMILES: CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
| PubChem CID | 2396 |
|---|---|
| CAS | 133052-90-1 |
| Molecular Weight (g/mol) | 412.493 |
| ChEBI | CHEBI:41072 |
| MDL Number | MFCD00236428 |
| SMILES | CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54 |
| Synonym | bisindolylmaleimide i,unii-l79h6n0v6c,rbt205 inhibitor,gö 6850,bisindolylmaleimide i gf 109203x,bim-1,chembl7463,2-1-3-dimethylaminopropyl indol-3-yl-3-indol-3-yl maleimide,3-1-3-dimethylamino propyl-1h-indol-3-yl-4-1h-indol-3-yl-1h-pyrrole-2,5-dione |
| IUPAC Name | 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione |
| InChI Key | QMGUOJYZJKLOLH-UHFFFAOYSA-N |
| Molecular Formula | C25H24N4O2 |
Irinotecan hydrochloride trihydrate, 99%
CAS: 136572-09-3 Molecular Formula: C33H39ClN4O6 Molecular Weight (g/mol): 623.15 MDL Number: MFCD01862255 InChI Key: GURKHSYORGJETM-WAQYZQTGSA-N Synonym: irinotecan hydrochloride,irinotecan hcl,topotecin,campto,cpt-11,cpt 11,camptothecin 11 hydrochloride,camptothecin 11,unii-06x131e4oe PubChem CID: 74990 ChEBI: CHEBI:5971 IUPAC Name: hydrogen (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate chloride SMILES: [H+].[Cl-].CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
| PubChem CID | 74990 |
|---|---|
| CAS | 136572-09-3 |
| Molecular Weight (g/mol) | 623.15 |
| ChEBI | CHEBI:5971 |
| MDL Number | MFCD01862255 |
| SMILES | [H+].[Cl-].CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O |
| Synonym | irinotecan hydrochloride,irinotecan hcl,topotecin,campto,cpt-11,cpt 11,camptothecin 11 hydrochloride,camptothecin 11,unii-06x131e4oe |
| IUPAC Name | hydrogen (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate chloride |
| InChI Key | GURKHSYORGJETM-WAQYZQTGSA-N |
| Molecular Formula | C33H39ClN4O6 |
2-(Hexamethyleneimino)ethyl chloride hydrochloride, 98%, Thermo Scientific Chemicals
CAS: 26487-67-2 Molecular Formula: C8H17Cl2N Molecular Weight (g/mol): 198.131 MDL Number: MFCD00012842 InChI Key: ZQDSOUPBYJIPNM-UHFFFAOYSA-N Synonym: 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh PubChem CID: 24188283 IUPAC Name: 1-(2-chloroethyl)azepane;hydrochloride SMILES: C1CCCN(CC1)CCCl.Cl
| PubChem CID | 24188283 |
|---|---|
| CAS | 26487-67-2 |
| Molecular Weight (g/mol) | 198.131 |
| MDL Number | MFCD00012842 |
| SMILES | C1CCCN(CC1)CCCl.Cl |
| Synonym | 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh |
| IUPAC Name | 1-(2-chloroethyl)azepane;hydrochloride |
| InChI Key | ZQDSOUPBYJIPNM-UHFFFAOYSA-N |
| Molecular Formula | C8H17Cl2N |
8-Hydroxy-2-methylquinoline, 98%
CAS: 826-81-3 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00006765 InChI Key: NBYLBWHHTUWMER-UHFFFAOYSA-N Synonym: 8-hydroxyquinaldine,2-methyl-8-hydroxyquinoline,2-methyl-8-quinolinol,8-quinolinol, 2-methyl,2-methyloxine,8-hydroxy-2-methylquinoline,hydroxyquinaldine,8-hydroxyqinaldine,2-methyl-quinolin-8-ol,2-methyl 8-quinolonol PubChem CID: 13224 IUPAC Name: 2-methylquinolin-8-ol SMILES: CC1=NC2=C(C=CC=C2O)C=C1
| PubChem CID | 13224 |
|---|---|
| CAS | 826-81-3 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00006765 |
| SMILES | CC1=NC2=C(C=CC=C2O)C=C1 |
| Synonym | 8-hydroxyquinaldine,2-methyl-8-hydroxyquinoline,2-methyl-8-quinolinol,8-quinolinol, 2-methyl,2-methyloxine,8-hydroxy-2-methylquinoline,hydroxyquinaldine,8-hydroxyqinaldine,2-methyl-quinolin-8-ol,2-methyl 8-quinolonol |
| IUPAC Name | 2-methylquinolin-8-ol |
| InChI Key | NBYLBWHHTUWMER-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
MilliporeSigma™ Bisbenzimide H 33342 Fluorochrome, Trihydrochloride Calbiochem™,
CAS: 23491-52-3 Molecular Formula: C27H28N6O Molecular Weight (g/mol): 452.562 InChI Key: PRDFBSVERLRRMY-UHFFFAOYSA-N Synonym: hoechst 33342,bisbenzimide,hoechst33342,unii-99kzs6cnzx,99kzs6cnzx,2'-4-ethoxyphenyl-5-4-methylpiperazin-1-yl-1h,1'h-2,5'-bibenzo d imidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-benzimidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-1h-benzimidazole,2'-4'-ethoxyphenyl-5-4-methylpiperazin-1-yl-2,5'-bis-1h-benzimidazole trihydrochloride trihydrate,2'-p-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bibenzimidazole PubChem CID: 1464 ChEBI: CHEBI:51232 IUPAC Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole SMILES: CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
| PubChem CID | 1464 |
|---|---|
| CAS | 23491-52-3 |
| Molecular Weight (g/mol) | 452.562 |
| ChEBI | CHEBI:51232 |
| SMILES | CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C |
| Synonym | hoechst 33342,bisbenzimide,hoechst33342,unii-99kzs6cnzx,99kzs6cnzx,2'-4-ethoxyphenyl-5-4-methylpiperazin-1-yl-1h,1'h-2,5'-bibenzo d imidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-benzimidazole,2'-4-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bi-1h-benzimidazole,2'-4'-ethoxyphenyl-5-4-methylpiperazin-1-yl-2,5'-bis-1h-benzimidazole trihydrochloride trihydrate,2'-p-ethoxyphenyl-5-4-methyl-1-piperazinyl-2,5'-bibenzimidazole |
| IUPAC Name | 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChI Key | PRDFBSVERLRRMY-UHFFFAOYSA-N |
| Molecular Formula | C27H28N6O |
(2-Oxo-3-benzoxazolyl)acetic acid, 97%
CAS: 13610-49-6 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD01547452 InChI Key: PHIUXGVYFVAGTC-UHFFFAOYSA-N Synonym: 2-oxo-1,3-benzoxazol-3 2h-yl acetic acid,2-oxo-benzooxazol-3-yl-acetic acid,2-2-oxobenzo d oxazol-3 2h-yl acetic acid,2 3h-benzoxazolone-3-yl acetic acid,2-oxo-1,3-benzoxazol-3-yl acetic acid,2-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl acetic acid,2-2-oxo-3-hydrobenzoxazol-3-yl acetic acid,3 2h-benzoxazoleacetic acid,2-oxo,3-benzoxazolonyl acetic acid,tos-bb-0934 PubChem CID: 737119 IUPAC Name: 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid SMILES: C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)O
| PubChem CID | 737119 |
|---|---|
| CAS | 13610-49-6 |
| Molecular Weight (g/mol) | 193.158 |
| MDL Number | MFCD01547452 |
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CC(=O)O |
| Synonym | 2-oxo-1,3-benzoxazol-3 2h-yl acetic acid,2-oxo-benzooxazol-3-yl-acetic acid,2-2-oxobenzo d oxazol-3 2h-yl acetic acid,2 3h-benzoxazolone-3-yl acetic acid,2-oxo-1,3-benzoxazol-3-yl acetic acid,2-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl acetic acid,2-2-oxo-3-hydrobenzoxazol-3-yl acetic acid,3 2h-benzoxazoleacetic acid,2-oxo,3-benzoxazolonyl acetic acid,tos-bb-0934 |
| IUPAC Name | 2-(2-oxo-1,3-benzoxazol-3-yl)acetic acid |
| InChI Key | PHIUXGVYFVAGTC-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO4 |
Pyridine, Low Water, HPLC, J.T. Baker™
CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.102 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1
| PubChem CID | 1049 |
|---|---|
| CAS | 110-86-1 |
| Molecular Weight (g/mol) | 79.102 |
| ChEBI | CHEBI:16227 |
| SMILES | C1=CC=NC=C1 |
| Synonym | azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 |
| IUPAC Name | pyridine |
| InChI Key | JUJWROOIHBZHMG-UHFFFAOYSA-N |
| Molecular Formula | C5H5N |
2,5-Dibromo-3-methylthiophene, 98%
CAS: 13191-36-1 Molecular Formula: C5H4Br2S Molecular Weight (g/mol): 255.955 MDL Number: MFCD00015470 InChI Key: IHFXZROPBCBLLG-UHFFFAOYSA-N Synonym: thiophene, 2,5-dibromo-3-methyl,2,5-dibromo-3-methyl-thiophene,acmc-1bt3y,2-p-nitrophenylthio ethanol,2,5-dibrom-3-methylthiophen,3-methyl-2,5-dibromothiophene,2,5-dibromo-3-methylthiophene PubChem CID: 83219 IUPAC Name: 2,5-dibromo-3-methylthiophene SMILES: CC1=C(SC(=C1)Br)Br
| PubChem CID | 83219 |
|---|---|
| CAS | 13191-36-1 |
| Molecular Weight (g/mol) | 255.955 |
| MDL Number | MFCD00015470 |
| SMILES | CC1=C(SC(=C1)Br)Br |
| Synonym | thiophene, 2,5-dibromo-3-methyl,2,5-dibromo-3-methyl-thiophene,acmc-1bt3y,2-p-nitrophenylthio ethanol,2,5-dibrom-3-methylthiophen,3-methyl-2,5-dibromothiophene,2,5-dibromo-3-methylthiophene |
| IUPAC Name | 2,5-dibromo-3-methylthiophene |
| InChI Key | IHFXZROPBCBLLG-UHFFFAOYSA-N |
| Molecular Formula | C5H4Br2S |
5-Amino-3-(2-thienyl)-1H-pyrazole, 98%
CAS: 96799-03-0 Molecular Formula: C7H7N3S Molecular Weight (g/mol): 165.21 MDL Number: MFCD00051815 InChI Key: TXSOLYKLZBJHFF-UHFFFAOYSA-N Synonym: 5-amino-3-2-thienyl pyrazole,3-thiophen-2-yl-1h-pyrazol-5-amine,5-thien-2-yl-1h-pyrazol-3-amine,3-2-thienyl-1h-pyrazol-5-amine,5-2-thienyl-1h-pyrazol-3-amine,5-thiophen-2-yl-2h-pyrazol-3-ylamine,5-thiophen-2-yl-1h-pyrazol-3-amine,gnf-pf-1850,5-amino-3-thien-2-yl pyrazole,5-amino-3-2-thienyl-1h-pyrazole PubChem CID: 523184 IUPAC Name: 5-thiophen-2-yl-1H-pyrazol-3-amine SMILES: NC1=NNC(=C1)C1=CC=CS1
| PubChem CID | 523184 |
|---|---|
| CAS | 96799-03-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00051815 |
| SMILES | NC1=NNC(=C1)C1=CC=CS1 |
| Synonym | 5-amino-3-2-thienyl pyrazole,3-thiophen-2-yl-1h-pyrazol-5-amine,5-thien-2-yl-1h-pyrazol-3-amine,3-2-thienyl-1h-pyrazol-5-amine,5-2-thienyl-1h-pyrazol-3-amine,5-thiophen-2-yl-2h-pyrazol-3-ylamine,5-thiophen-2-yl-1h-pyrazol-3-amine,gnf-pf-1850,5-amino-3-thien-2-yl pyrazole,5-amino-3-2-thienyl-1h-pyrazole |
| IUPAC Name | 5-thiophen-2-yl-1H-pyrazol-3-amine |
| InChI Key | TXSOLYKLZBJHFF-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3S |
2,4-Diamino-6-hydroxypyrimidine, 96%
CAS: 56-06-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.12 MDL Number: MFCD00006098 InChI Key: SWELIMKTDYHAOY-UHFFFAOYSA-N Synonym: 2,4-diamino-6-hydroxypyrimidine,2,6-diaminopyrimidin-4-ol,2,6-diaminopyrimidin-4 1h-one,2,6-diamino-4-pyrimidinol,2,6-diamino-4-hydroxypyrimidine,2,6-diaminopyrimidin-4 3h-one,2,6-diamino-4-pyrimidinone,4 1h-pyrimidinone, 2,6-diamino,2,4-diaminohypoxanthine,6-aminoisocytosine PubChem CID: 2944 IUPAC Name: 2,6-diamino-1H-pyrimidin-4-one SMILES: C1=C(NC(=NC1=O)N)N
| PubChem CID | 2944 |
|---|---|
| CAS | 56-06-4 |
| Molecular Weight (g/mol) | 126.12 |
| MDL Number | MFCD00006098 |
| SMILES | C1=C(NC(=NC1=O)N)N |
| Synonym | 2,4-diamino-6-hydroxypyrimidine,2,6-diaminopyrimidin-4-ol,2,6-diaminopyrimidin-4 1h-one,2,6-diamino-4-pyrimidinol,2,6-diamino-4-hydroxypyrimidine,2,6-diaminopyrimidin-4 3h-one,2,6-diamino-4-pyrimidinone,4 1h-pyrimidinone, 2,6-diamino,2,4-diaminohypoxanthine,6-aminoisocytosine |
| IUPAC Name | 2,6-diamino-1H-pyrimidin-4-one |
| InChI Key | SWELIMKTDYHAOY-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O |