dimethyl 5-[2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(6-keto-3,7-dihydropurin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C3=C(N2)N=CN3)C(=O)OC

InChI

InChI=1S/C17H15N5O6S/c1-27-15(25)8-3-9(16(26)28-2)5-10(4-8)20-11(23)6-29-17-21-13-12(14(24)22-17)18-7-19-13/h3-5,7H,6H2,1-2H3,(H,20,23)(H2,18,19,21,22,24)