50P
Summary
| Name: | 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C16 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 278.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 7-oxidanylidene-5-phenyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(C(C)C)=C(c1ccccc1)Nc3n(C2=O)ncc3C#N |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3 |
| InChIKey | InChI | 1.03 | DHXKRMSKXLDZGY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3 |
