B2T
Summary
| Name: | 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine |
| Formula: | C10 H9 Cl N4 S |
| Formal charge: | 0 |
| Formula weight: | 252.723 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine |
| OpenEye OEToolkits | 1.7.2 | 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2c(c1nc(nc(SC)n1)N)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN4S/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15) |
| InChIKey | InChI | 1.03 | JVOIPLKVZOLUDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSc1nc(N)nc(n1)c2ccccc2Cl |
| SMILES | CACTVS | 3.370 | CSc1nc(N)nc(n1)c2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CSc1nc(nc(n1)N)c2ccccc2Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | CSc1nc(nc(n1)N)c2ccccc2Cl |
