6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C12H17N4O2S- MolecularWeight: 281.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C)[O-]

InChI

InChI=1S/C12H18N4O2S/c1-9-7-10(17)14-12(13-9)19-8-11(18)16-5-3-15(2)4-6-16/h7H,3-6,8H2,1-2H3,(H,13,14,17)/p-1