A1I5U
Summary
| Name: | 6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one |
| Formula: | C5 H4 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 168.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) |
| InChIKey | InChI | 1.06 | SXRSXYWROQWSGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=S)Nc2[nH]ncc12 |
| SMILES | CACTVS | 3.385 | O=C1NC(=S)Nc2[nH]ncc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c([nH]n1)NC(=S)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c([nH]n1)NC(=S)NC2=O |
