[2,4-bis(azanyl)pyrimidin-5-yl]methyl (3E)-6-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: [2,4-bis(azanyl)pyrimidin-5-yl]methyl (3E)-6-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: (2,4-diaminopyrimidin-5-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 (2,4-diamino-5-pyrimidinyl)methyl ester IUPAC Name: (2,4-diaminopyrimidin-5-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 (2,4-diaminopyrimidin-5-yl)methyl ester Formula: C18H17N7O5S MolecularWeight: 443.43648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)OCC3=CN=C(N=C3N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)OCC3=CN=C(N=C3N)N)S(=O)(=O)N

InChI

InChI=1S/C18H17N7O5S/c19-16-10(8-22-18(20)23-16)9-30-17(27)14-7-12(3-6-15(14)26)25-24-11-1-4-13(5-2-11)31(21,28)29/h1-8,24H,9H2,(H2,21,28,29)(H4,19,20,22,23)/b25-12+