5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-6-methyl-pyrimidin-4-olate Formula: C25H27N4O3S- MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28N4O3S/c1-18-20(24(31)27-25(26-18)33-17-19-8-4-3-5-9-19)16-23(30)29-14-12-28(13-15-29)21-10-6-7-11-22(21)32-2/h3-11H,12-17H2,1-2H3,(H,26,27,31)/p-1