8WW
Summary
| Name: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine |
| Formula: | C13 H13 N5 S |
| Formal charge: | 0 |
| Formula weight: | 271.341 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | PAAAKNYXXIVNCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCCc2ccccc2)c3[nH]cnc3n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(SCCc2ccccc2)c3[nH]cnc3n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N |
