D9H
Summary
| Name: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide |
| Formula: | C11 H13 Cl N6 O3 S |
| Formal charge: | 0 |
| Formula weight: | 344.777 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide |
| OpenEye OEToolkits | 1.7.0 | 4-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1nc(nc(n1)NCCO)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | QZIFPRRIFLBFHT-UHFFFAOYSA-N |
