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

Systemtic Name: 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C26H30N4O2S MolecularWeight: 462.607

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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)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CC3=C(NC(=NC3=O)SCC4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O2S/c1-18-9-10-19(2)23(15-18)29-11-13-30(14-12-29)24(31)16-22-20(3)27-26(28-25(22)32)33-17-21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3,(H,27,28,32)