4VT
Summary
| Name: | 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C14 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 250.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 7-oxidanylidene-5-(phenylmethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=C(Cc1ccccc1)Nc3n2ncc3C#N |
| InChI | InChI | 1.03 | InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2 |
| InChIKey | InChI | 1.03 | RAGSEECOXCGMEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(Cc2ccccc2)Nc3n1ncc3C#N |
| SMILES | CACTVS | 3.385 | O=C1C=C(Cc2ccccc2)Nc3n1ncc3C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2 |
