methyl 4-[[4-azanyl-3-(3-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-azanyl-3-(3-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-amino-3-(3-methylsulfanylphenyl)-2,6-dioxo-pyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[4-amino-3-[3-(methylthio)phenyl]-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-3-(3-methylsulfanylphenyl)-2,6-dioxopyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-amino-2,6-diketo-3-[3-(methylthio)phenyl]pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N(C2=O)C3=CC(=CC=C3)SC)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N(C2=O)C3=CC(=CC=C3)SC)N

InChI

InChI=1S/C20H19N3O4S/c1-27-19(25)14-8-6-13(7-9-14)12-22-18(24)11-17(21)23(20(22)26)15-4-3-5-16(10-15)28-2/h3-11H,12,21H2,1-2H3