2-[(E)-4-[4-(3-phenylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-4-[4-(3-phenylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-4-[4-(3-phenylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[(E)-4-[4-(3-phenylphenyl)-1-piperazinyl]but-2-enyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-4-[4-(3-phenylphenyl)piperazin-1-yl]but-2-enyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[(E)-4-[4-(3-phenylphenyl)piperazino]but-2-enyl]thio]-1H-pyrimidin-6-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CCSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C/C=C/CSC2=NC=CC(=O)N2)C3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c29-23-11-12-25-24(26-23)30-18-5-4-13-27-14-16-28(17-15-27)22-10-6-9-21(19-22)20-7-2-1-3-8-20/h1-12,19H,13-18H2,(H,25,26,29)/b5-4+