UO8
Summary
| Name: | 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione |
| Formula: | C11 H15 N5 S |
| Formal charge: | 0 |
| Formula weight: | 249.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5S/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,14,15,17) |
| InChIKey | InChI | 1.03 | PKVXHQDYPCXSAD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=S)c2ncn(C3CCCCC3)c2N1 |
| SMILES | CACTVS | 3.385 | NC1=NC(=S)c2ncn(C3CCCCC3)c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1C3CCCCC3)NC(=NC2=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1C3CCCCC3)NC(=NC2=S)N |
