4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzene-1,2,3-tricarboxylic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzene-1,2,3-tricarboxylic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzene-1,2,3-tricarboxylic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzene-1,2,3-tricarboxylic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzene-1,2,3-tricarboxylic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]hemimellitic acid Formula: C16H12N6O7 MolecularWeight: 400.30248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C16H12N6O7/c17-16-21-11-10(12(23)22-16)20-5(4-19-11)3-18-7-2-1-6(13(24)25)8(14(26)27)9(7)15(28)29/h1-2,4,18H,3H2,(H,24,25)(H,26,27)(H,28,29)(H3,17,19,21,22,23)