KB5
Summary
| Name: | 6-azanyl-9~{H}-purine-8-thiol |
| Formula: | C5 H5 N5 S |
| Formal charge: | 0 |
| Formula weight: | 167.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-9~{H}-purine-8-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | BHVOFCPOXNYVCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2[nH]c(S)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2[nH]c(S)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)[nH]c(n2)S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)[nH]c(n2)S)N |
