6BC
Summary
| Name: | 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| Formula: | C14 H9 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 284.7 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1n2ncc(C#N)c2nc(Cl)c1Cc3ccccc3 |
| SMILES | CACTVS | 3.352 | Oc1n2ncc(C#N)c2nc(Cl)c1Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H9ClN4O/c15-12-11(6-9-4-2-1-3-5-9)14(20)19-13(18-12)10(7-16)8-17-19/h1-5,8,20H,6H2 |
| InChIKey | InChI | 1.03 | HOHNWEMSRSQMGQ-UHFFFAOYSA-N |
