N76
Summary
| Name: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE |
| Formula: | C18 H22 N6 O3 S |
| Formal charge: | 0 |
| Formula weight: | 402.471 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide |
| OpenEye OEToolkits | 1.5.0 | 3-[[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1cccc(c1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1cccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)c1 |
| SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1cccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3 |
| InChI | InChI | 1.03 | InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-4-7-13(9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,19,25,26)(H2,20,21,22,23,24) |
| InChIKey | InChI | 1.03 | BKDUVKJYBJDZQW-UHFFFAOYSA-N |
