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

Systemtic Name: 4-azanyl-2-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-benzoic acid Openeye Name: 4-amino-2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]benzoic acid CAS Name: 4-amino-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 4-amino-2-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]benzoic acid Traditional Name: 4-amino-2-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]benzoic acid Formula: C21H17N7O4 MolecularWeight: 431.40418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)N)C(=O)O)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)N)C(=O)O)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C21H17N7O4/c22-11-3-6-14(20(31)32)15(7-11)17(29)10-1-4-12(5-2-10)24-8-13-9-25-18-16(26-13)19(30)28-21(23)27-18/h1-7,9,24H,8,22H2,(H,31,32)(H3,23,25,27,28,30)