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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H21N4O3S- MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-13-11-16(23)20-18(19-13)26-12-17(24)22-9-7-21(8-10-22)14-5-3-4-6-15(14)25-2/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,23)/p-1