KBQ
Summary
| Name: | 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
| Formula: | C6 H5 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 167.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | QCZHCRBHXAFBDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=S)Nc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | O=C1NC(=S)Nc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1C(=O)NC(=S)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1C(=O)NC(=S)N2 |
