K4Y
Summary
| Name: | 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide |
| Formula: | C11 H12 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 280.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.6 | 4-azanyl-~{N}-(6-methoxypyrimidin-4-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc2ncnc(NS(c1ccc(cc1)N)(=O)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15) |
| InChIKey | InChI | 1.03 | WMPXPUYPYQKQCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1 |
| SMILES | CACTVS | 3.385 | COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N |
