VQL
Summary
| Name: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine |
| Formula: | C8 H9 N5 S2 |
| Formal charge: | 0 |
| Formula weight: | 239.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 4-methylsulfanyl-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nc(cs1)c1nc(SC)nc(N)n1 |
| InChI | InChI | 1.06 | InChI=1S/C8H9N5S2/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13) |
| InChIKey | InChI | 1.06 | CONHQKZCNGTWSR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nc(N)nc(n1)c2csc(C)n2 |
| SMILES | CACTVS | 3.385 | CSc1nc(N)nc(n1)c2csc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(cs1)c2nc(nc(n2)SC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(cs1)c2nc(nc(n2)SC)N |
