Q0T
Summary
| Name: | ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate |
| Formula: | C12 H12 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N6O2/c1-2-20-10(19)6-18-5-8(4-17-18)11-9(3-13)12(14)16-7-15-11/h4-5,7H,2,6H2,1H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | PNBCCOMJHGKSBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Cn1cc(cn1)c2ncnc(N)c2C#N |
| SMILES | CACTVS | 3.385 | CCOC(=O)Cn1cc(cn1)c2ncnc(N)c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N |
