1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-methoxyethanone IUPAC Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-2-methoxy-ethanone Formula: C26H28ClFN4O2 MolecularWeight: 482.977523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClFN4O2/c1-3-23-20(16-19-21(27)10-7-11-22(19)28)26(30-25(29-23)18-8-5-4-6-9-18)32-14-12-31(13-15-32)24(33)17-34-2/h4-11H,3,12-17H2,1-2H3