Q0H
Summary
| Name: | 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile |
| Formula: | C15 H10 F2 N6 |
| Formal charge: | 0 |
| Formula weight: | 312.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21) |
| InChIKey | InChI | 1.03 | XIBXZPKIDAMNCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc(c2cnn(Cc3ccc(F)c(F)c3)c2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1ncnc(c2cnn(Cc3ccc(F)c(F)c3)c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F |
