AXC
Summary
| Name: | 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE |
| Formula: | C18 H14 N6 S |
| Formal charge: | 0 |
| Formula weight: | 346.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1nn2c(SCc3[nH]c4ccccc4n3)nc5ccccc5c2n1 |
| SMILES | CACTVS | 3.352 | Cc1nn2c(SCc3[nH]c4ccccc4n3)nc5ccccc5c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4 |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4 |
| InChI | InChI | 1.03 | InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | VVYNKZKNFFKZDW-UHFFFAOYSA-N |
