A1IBL
Summary
| Name: | 2-azanyl-8-propyl-3,7-dihydropurine-6-thione |
| Formula: | C8 H11 N5 S |
| Formal charge: | 0 |
| Formula weight: | 209.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-8-propyl-3,7-dihydropurine-6-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11N5S/c1-2-3-4-10-5-6(11-4)12-8(9)13-7(5)14/h2-3H2,1H3,(H4,9,10,11,12,13,14) |
| InChIKey | InChI | 1.06 | KOEKGQWQJZRMPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1[nH]c2C(=S)N=C(N)Nc2n1 |
| SMILES | CACTVS | 3.385 | CCCc1[nH]c2C(=S)N=C(N)Nc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1[nH]c2c(n1)NC(=NC2=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1[nH]c2c(n1)NC(=NC2=S)N |
