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

Systemtic Name: 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2S/c1-18-10-11-19(2)24(16-18)30-12-14-31(15-13-30)25(32)17-23-20(3)28-27(29-26(23)33)34-21(4)22-8-6-5-7-9-22/h5-11,16,21H,12-15,17H2,1-4H3,(H,28,29,33)