2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C16H16N3O3S- MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C16H17N3O3S/c1-9-10(2)17-16(19-15(9)22)23-8-14(21)18-13-6-4-12(5-7-13)11(3)20/h4-7H,8H2,1-3H3,(H,18,21)(H,17,19,22)/p-1