6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-2,4-dione

Systemtic Name: 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrimidine-2,4-dione Openeye Name: 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-(4-methylsulfanylphenyl)-6-(p-tolyl)pyrimidine-2,4-dione CAS Name: 3-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-6-(4-methylphenyl)-1-[4-(methylthio)phenyl]pyrimidine-2,4-dione IUPAC Name: 3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione Traditional Name: 3-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-1-[4-(methylthio)phenyl]-6-(p-tolyl)pyrimidine-2,4-quinone Formula: C29H32N6O3S MolecularWeight: 544.66778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CC(CN4CCN(CC4)C5=NC=CC=N5)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CC(CN4CCN(CC4)C5=NC=CC=N5)O

InChI

InChI=1S/C29H32N6O3S/c1-21-4-6-22(7-5-21)26-18-27(37)34(29(38)35(26)23-8-10-25(39-2)11-9-23)20-24(36)19-32-14-16-33(17-15-32)28-30-12-3-13-31-28/h3-13,18,24,36H,14-17,19-20H2,1-2H3