RTW
Summary
| Name: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione |
| Synonyms: | TH8321 |
| Formula: | C18 H21 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 355.457 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5OS/c1-24-13-10-6-5-9-12(13)15-20-14-16(21-18(19)22-17(14)25)23(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H3,19,21,22,25) |
| InChIKey | InChI | 1.03 | BVSLMKDZZZZZKY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1c2nc3C(=S)N=C(N)Nc3n2C4CCCCC4 |
| SMILES | CACTVS | 3.385 | COc1ccccc1c2nc3C(=S)N=C(N)Nc3n2C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N |
