4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-6-sulfamoyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-6-sulfamoyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-6-sulfamoyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-6-sulfamoyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-6-sulfamoylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-6-sulfamoyl-cyclohexa-2,4-diene-1-carboxylate Formula: C14H14N7O5S- MolecularWeight: 392.36986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1C(=O)[O-])S(=O)(=O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC(C1C(=O)[O-])S(=O)(=O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H15N7O5S/c15-14-20-11-10(12(22)21-14)19-7(5-18-11)4-17-6-1-2-8(13(23)24)9(3-6)27(16,25)26/h1-3,5,8-9,17H,4H2,(H,23,24)(H2,16,25,26)(H3,15,18,20,21,22)/p-1