4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2,3-bis(oxidanyl)benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2,3-bis(oxidanyl)benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2,3-dihydroxy-benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2,3-dihydroxybenzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2,3-dihydroxybenzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-2,3-dihydroxy-benzoic acid Formula: C14H12N6O5 MolecularWeight: 344.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O5/c15-14-19-11-8(12(23)20-14)18-5(4-17-11)3-16-7-2-1-6(13(24)25)9(21)10(7)22/h1-2,4,16,21-22H,3H2,(H,24,25)(H3,15,17,19,20,23)