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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C23H23N4O3S- MolecularWeight: 435.51872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c1-30-20-10-6-5-9-19(20)26-11-13-27(14-12-26)22(29)16-31-23-24-18(15-21(28)25-23)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)/p-1