A1IBK
Summary
| Name: | 2-azanyl-8-methyl-3,7-dihydropurine-6-thione |
| Formula: | C6 H7 N5 S |
| Formal charge: | 0 |
| Formula weight: | 181.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-8-methyl-3,7-dihydropurine-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H7N5S/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12) |
| InChIKey | InChI | 1.06 | VFPBXHBKDUKYRE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2C(=S)N=C(N)Nc2n1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2C(=S)N=C(N)Nc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c2c(n1)NC(=NC2=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c2c(n1)NC(=NC2=S)N |
