K4C
Summary
| Name: | ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Formula: | C16 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 311.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.06 | BPLSPMYRGHFGHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC |
| SMILES | CACTVS | 3.385 | CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1c(c(n2c(n1)ncn2)c3ccncc3)C(=O)OCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1c(c(n2c(n1)ncn2)c3ccncc3)C(=O)OCC |
