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

Systemtic Name: 3-(4-methylphenyl)-5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholin-4-yl-2-phenyl-pyrimidin-4-one Openeye Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholino-2-phenyl-3-(p-tolyl)pyrimidin-4-one CAS Name: 3-(4-methylphenyl)-5-[(E)-3-(methylthio)but-1-enyl]-6-(4-morpholinyl)-2-phenyl-4-pyrimidinone IUPAC Name: 3-(4-methylphenyl)-5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholin-4-yl-2-phenylpyrimidin-4-one Traditional Name: 5-[(E)-3-(methylthio)but-1-enyl]-6-morpholino-2-phenyl-3-(p-tolyl)pyrimidin-4-one Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C=CC(C)SC)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)/C=C/C(C)SC)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-19-9-12-22(13-10-19)29-24(21-7-5-4-6-8-21)27-25(28-15-17-31-18-16-28)23(26(29)30)14-11-20(2)32-3/h4-14,20H,15-18H2,1-3H3/b14-11+