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

Systemtic Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-6-piperidin-1-yl-pyrimidin-4-one Openeye Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-6-(1-piperidyl)pyrimidin-4-one CAS Name: 5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-6-(1-piperidinyl)-4-pyrimidinone IUPAC Name: 5-[(E)-3-methylsulfanylbut-1-enyl]-2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one Traditional Name: 5-[(E)-3-(methylthio)but-1-enyl]-2,3-diphenyl-6-piperidino-pyrimidin-4-one Formula: C26H29N3OS MolecularWeight: 431.59296

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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)N4CCCCC4)SC

Isomeric SMILES

CC(/C=C/C1=C(N=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCC4)SC

InChI

InChI=1S/C26H29N3OS/c1-20(31-2)16-17-23-25(28-18-10-5-11-19-28)27-24(21-12-6-3-7-13-21)29(26(23)30)22-14-8-4-9-15-22/h3-4,6-9,12-17,20H,5,10-11,18-19H2,1-2H3/b17-16+