B2K
Summary
| Name: | 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine |
| Formula: | C12 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 263.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-6-[(4-methylphenyl)sulfonyl]pyrimidin-2-amine |
| OpenEye OEToolkits | 1.7.2 | 4-methyl-6-(4-methylphenyl)sulfonyl-pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1nc(nc(c1)C)N)c2ccc(cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O2S/c1-8-3-5-10(6-4-8)18(16,17)11-7-9(2)14-12(13)15-11/h3-7H,1-2H3,(H2,13,14,15) |
| InChIKey | InChI | 1.03 | XUOYIZBDMDPDEJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)c2cc(C)nc(N)n2 |
| SMILES | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)c2cc(C)nc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C |
