4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C26H29ClFN5O MolecularWeight: 481.992763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)N(C)C)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)N(C)C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H29ClFN5O/c1-4-23-20(17-19-21(27)11-8-12-22(19)28)25(30-24(29-23)18-9-6-5-7-10-18)32-13-15-33(16-14-32)26(34)31(2)3/h5-12H,4,13-17H2,1-3H3