QAR
Summary
| Name: | 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine |
| Synonyms: | 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine |
| Formula: | C14 H13 N9 |
| Formal charge: | 0 |
| Formula weight: | 307.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine |
| OpenEye OEToolkits | 1.7.0 | 1-(4-azanyl-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)benzimidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(nc(nc1n2c4ccccc4nc2Nc3nncc3)N)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(N)nc(n1)n2c(Nc3cc[nH]n3)nc4ccccc24 |
| SMILES | CACTVS | 3.370 | Cc1nc(N)nc(n1)n2c(Nc3cc[nH]n3)nc4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N |
| InChI | InChI | 1.03 | InChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22) |
| InChIKey | InChI | 1.03 | DMMFPXAFVNDPCA-UHFFFAOYSA-N |
