dimethyl 5-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)C(=O)OC

InChI

InChI=1S/C16H16N4O6S/c1-25-14(23)8-3-9(15(24)26-2)5-10(4-8)18-13(22)7-27-16-19-11(17)6-12(21)20-16/h3-6H,7H2,1-2H3,(H,18,22)(H3,17,19,20,21)