1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-2-methyl-propan-1-one Formula: C27H31ClN4O MolecularWeight: 463.01424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C(C)C)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C(C)C)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H31ClN4O/c1-4-24-23(18-20-9-8-12-22(28)17-20)26(30-25(29-24)21-10-6-5-7-11-21)31-13-15-32(16-14-31)27(33)19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3