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

Systemtic Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholin-4-yl-2,3-diphenyl-pyrimidin-4-one Openeye Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholino-2,3-diphenyl-pyrimidin-4-one CAS Name: 5-[(E)-3-(methylthio)but-1-enyl]-6-(4-morpholinyl)-2,3-diphenyl-4-pyrimidinone IUPAC Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-6-morpholin-4-yl-2,3-diphenylpyrimidin-4-one Traditional Name: 5-[(E)-3-(methylthio)but-1-enyl]-6-morpholino-2,3-diphenyl-pyrimidin-4-one Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=C(N=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CCOCC4)SC

Isomeric SMILES

CC(/C=C/C1=C(N=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CCOCC4)SC

InChI

InChI=1S/C25H27N3O2S/c1-19(31-2)13-14-22-24(27-15-17-30-18-16-27)26-23(20-9-5-3-6-10-20)28(25(22)29)21-11-7-4-8-12-21/h3-14,19H,15-18H2,1-2H3/b14-13+