2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H16N3O4S- MolecularWeight: 394.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S/c1-27-19(26)14-7-9-15(10-8-14)21-18(25)12-28-20-22-16(11-17(24)23-20)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,25)(H,22,23,24)/p-1