5-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C26H29ClN4O2S MolecularWeight: 497.05206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC(=NC3=O)SC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC(=NC3=O)SC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29ClN4O2S/c1-17-9-10-21(27)15-23(17)30-11-13-31(14-12-30)24(32)16-22-18(2)28-26(29-25(22)33)34-19(3)20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,28,29,33)