2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 6-[2-(3-acetylanilino)-2-oxo-ethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(3-acetylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(3-acetylanilino)-2-oxoethyl]-2-[(3-chlorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(3-acetylanilino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]pyrimidin-4-olate Formula: C21H17ClN3O3S- MolecularWeight: 426.89598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C21H18ClN3O3S/c1-13(26)15-5-3-7-17(9-15)23-19(27)10-18-11-20(28)25-21(24-18)29-12-14-4-2-6-16(22)8-14/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,25,28)/p-1