HLW
Summary
| Name: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
| Synonyms: | N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE |
| Formula: | C18 H20 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 341.838 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
| OpenEye OEToolkits | 1.7.6 | 3-(3-chlorophenyl)-N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 |
| InChIKey | InChI | 1.03 | VPDCBONBBAYCIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3 |
