Q8N
Summary
| Name: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine |
| Formula: | C15 H17 N7 S |
| Formal charge: | 0 |
| Formula weight: | 327.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H17N7S/c1-10-4-3-5-11(8-10)18-14-20-12(19-13(16)21-14)9-23-15-17-6-7-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21) |
| InChIKey | InChI | 1.06 | AJMVTEFCEYDLAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2 |
| SMILES | CACTVS | 3.385 | Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)Nc2nc(nc(n2)N)CSc3nccn3C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)Nc2nc(nc(n2)N)CSc3nccn3C |
