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

Systemtic Name: 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate Openeye Name: 2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-6-(methoxymethyl)-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-(methoxymethyl)pyrimidin-4-olate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]-6-(methoxymethyl)pyrimidin-4-olate Formula: C16H16N3O5S- MolecularWeight: 362.38034

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)[O-]

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-23-8-12-7-13(20)19-16(18-12)25-9-14(21)17-11-5-3-10(4-6-11)15(22)24-2/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)/p-1