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

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 5-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-benzylsulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-(benzylthio)-6-methyl-pyrimidin-4-olate Formula: C25H27N4O2S- MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-19-22(24(31)27-25(26-19)32-18-21-10-6-3-7-11-21)16-23(30)29-14-12-28(13-15-29)17-20-8-4-2-5-9-20/h2-11H,12-18H2,1H3,(H,26,27,31)/p-1