QYB
Summary
| Name: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one |
| Synonyms: | 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one |
| Formula: | C11 H8 N4 O |
| Formal charge: | 0 |
| Formula weight: | 212.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16) |
| InChIKey | InChI | 1.03 | KCPLJPHQKPGNHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=Nc2n[nH]c(c3ccccc3)c12 |
| SMILES | CACTVS | 3.385 | O=C1NC=Nc2n[nH]c(c3ccccc3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O |
