K2L
Summary
| Name: | 1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one |
| Formula: | C17 H21 N7 O |
| Formal charge: | 0 |
| Formula weight: | 339.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methyl-imidazol-4-yl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)c1 |
| InChI | InChI | 1.03 | InChI=1S/C17H21N7O/c1-11-9-18-12(2)24-17(11)19-13(21-24)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3 |
| InChIKey | InChI | 1.03 | GIKLNBNHTSSEKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2nn3c(C)ncc(C)c3n2)N4CCCC4=O |
| SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2nn3c(C)ncc(C)c3n2)N4CCCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(n2c1nc(n2)CCc3nc(cn3C)N4CCCC4=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(n2c1nc(n2)CCc3nc(cn3C)N4CCCC4=O)C |
