G6T
Summary
| Name: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]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 | 12.01 | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide |
| OpenEye OEToolkits | 1.7.6 | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c4cccc(c3nc2nc(nc(OCC1CCCCC1)c2n3)N)c4 |
| InChI | InChI | 1.03 | InChI=1S/C18H22N6O3S/c19-18-23-16-14(17(24-18)27-10-11-5-2-1-3-6-11)21-15(22-16)12-7-4-8-13(9-12)28(20,25)26/h4,7-9,11H,1-3,5-6,10H2,(H2,20,25,26)(H3,19,21,22,23,24) |
| InChIKey | InChI | 1.03 | XNHSEOXNPOIZSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(OCC2CCCCC2)c3[nH]c(nc3n1)c4cccc(c4)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | Nc1nc(OCC2CCCCC2)c3[nH]c(nc3n1)c4cccc(c4)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N |
