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

Systemtic Name: 4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C25H29N5OS MolecularWeight: 447.59566

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5OS/c1-17-6-5-7-20(16-17)23-26-19(3)18(2)24(28-23)29-12-14-30(15-13-29)25(31)27-21-8-10-22(32-4)11-9-21/h5-11,16H,12-15H2,1-4H3,(H,27,31)