methyl 2-[2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C16H17N3O4S2/c1-23-15(22)8-11-7-13(20)19-16(18-11)25-9-14(21)17-10-4-3-5-12(6-10)24-2/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)