Q0E
Summary
| Name: | 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile |
| Formula: | C14 H11 N7 |
| Formal charge: | 0 |
| Formula weight: | 277.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11N7/c15-4-12-13(18-9-19-14(12)16)11-6-20-21(8-11)7-10-2-1-3-17-5-10/h1-3,5-6,8-9H,7H2,(H2,16,18,19) |
| InChIKey | InChI | 1.03 | CXHWYZDXLJBAJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc(c2cnn(Cc3cccnc3)c2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1ncnc(c2cnn(Cc3cccnc3)c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N |
