1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-2-(2-thienyl)ethanone Formula: C28H27ClN4OS MolecularWeight: 503.05818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC4=CC=CS4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC4=CC=CS4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H27ClN4OS/c1-20-25(18-21-9-11-23(29)12-10-21)28(31-27(30-20)22-6-3-2-4-7-22)33-15-13-32(14-16-33)26(34)19-24-8-5-17-35-24/h2-12,17H,13-16,18-19H2,1H3