(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl (3E)-6-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl (3E)-6-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl (3E)-6-oxo-3-[(4-sulfamoylphenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate CAS Name: (3E)-6-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl (3E)-6-oxo-3-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Traditional Name: (3E)-6-keto-3-[(4-sulfamoylphenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C20H16N8O6S MolecularWeight: 496.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)OCC3=CN=C4C(=N3)C(=O)N=C(N4)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)OCC3=CN=C4C(=N3)C(=O)N=C(N4)N)S(=O)(=O)N

InChI

InChI=1S/C20H16N8O6S/c21-20-25-17-16(18(30)26-20)24-12(8-23-17)9-34-19(31)14-7-11(3-6-15(14)29)28-27-10-1-4-13(5-2-10)35(22,32)33/h1-8,27H,9H2,(H2,22,32,33)(H3,21,23,25,26,30)/b28-11+