5,6-dimethyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5,6-dimethyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5,6-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5,6-dimethyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-pyrimidinolate IUPAC Name: 5,6-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C18H21N4O2S- MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N4O2S/c1-13-14(2)19-18(20-17(13)24)25-12-16(23)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,19,20,24)/p-1