2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]benzoic acid CAS Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]benzoic acid Traditional Name: 2-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]benzoic acid Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)C(=O)O

InChI

InChI=1S/C21H16N6O4/c22-21-26-18-16(19(29)27-21)25-13(10-24-18)9-23-12-7-5-11(6-8-12)17(28)14-3-1-2-4-15(14)20(30)31/h1-8,10,23H,9H2,(H,30,31)(H3,22,24,26,27,29)