72L
Summary
| Name: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide |
| Formula: | C23 H18 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 442.493 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29) |
| InChIKey | InChI | 1.03 | FUGRWXRQJGJIER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(n2)c4cccc(c4)c5ccccc5)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(n2)c4cccc(c4)c5ccccc5)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N |
