6-[(4-methylphenyl)-prop-2-enyl-amino]-5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)-prop-2-enyl-amino]-5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-pyrimidin-4-one Openeye Name: 6-(N-allyl-4-methyl-anilino)-5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-pyrimidin-4-one CAS Name: 6-(4-methyl-N-prop-2-enylanilino)-5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-4-pyrimidinone IUPAC Name: 6-(4-methyl-N-prop-2-enylanilino)-5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenylpyrimidin-4-one Traditional Name: 6-(N-allyl-4-methyl-anilino)-5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-pyrimidin-4-one Formula: C31H31N3OS MolecularWeight: 493.66234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC=C)C2=C(C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C=CC(C)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC=C)C2=C(C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C(C)SC

InChI

InChI=1S/C31H31N3OS/c1-5-22-33(26-19-16-23(2)17-20-26)30-28(21-18-24(3)36-4)31(35)34(27-14-10-7-11-15-27)29(32-30)25-12-8-6-9-13-25/h5-21,24H,1,22H2,2-4H3/b21-18+