4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C31H33N5OS MolecularWeight: 523.69162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)SC)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)SC)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H33N5OS/c1-22-8-7-11-25(20-22)29-32-23(2)28(21-24-9-5-4-6-10-24)30(34-29)35-16-18-36(19-17-35)31(37)33-26-12-14-27(38-3)15-13-26/h4-15,20H,16-19,21H2,1-3H3,(H,33,37)