EG8
Summary
| Name: | N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine |
| Synonyms: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl)propan-1-amine |
| Formula: | C17 H20 N6 |
| Formal charge: | 0 |
| Formula weight: | 308.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine |
| OpenEye OEToolkits | 1.7.6 | N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-yl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccc(nc1n2ccnc2)CCNCCCc3cccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2 |
| InChIKey | InChI | 1.03 | XOWPXRYZDHLBEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(CNCCc1ccnc(n1)n2ccnc2)Cc3cccnc3 |
| SMILES | CACTVS | 3.385 | C(CNCCc1ccnc(n1)n2ccnc2)Cc3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3 |
