3-(4-methylphenyl)-5-[(E)-3-methylsulfanylbut-1-enyl]-2-phenyl-6-piperidin-1-yl-pyrimidin-4-one

Systemtic Name: 3-(4-methylphenyl)-5-[(E)-3-methylsulfanylbut-1-enyl]-2-phenyl-6-piperidin-1-yl-pyrimidin-4-one Openeye Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-2-phenyl-6-(1-piperidyl)-3-(p-tolyl)pyrimidin-4-one CAS Name: 3-(4-methylphenyl)-5-[(E)-3-(methylthio)but-1-enyl]-2-phenyl-6-(1-piperidinyl)-4-pyrimidinone IUPAC Name: 3-(4-methylphenyl)-5-[(E)-3-methylsulfanylbut-1-enyl]-2-phenyl-6-piperidin-1-ylpyrimidin-4-one Traditional Name: 5-[(E)-3-(methylthio)but-1-enyl]-2-phenyl-6-piperidino-3-(p-tolyl)pyrimidin-4-one Formula: C27H31N3OS MolecularWeight: 445.61954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C=CC(C)SC)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)/C=C/C(C)SC)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3OS/c1-20-12-15-23(16-13-20)30-25(22-10-6-4-7-11-22)28-26(29-18-8-5-9-19-29)24(27(30)31)17-14-21(2)32-3/h4,6-7,10-17,21H,5,8-9,18-19H2,1-3H3/b17-14+