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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-2,3-dihydro-1H-pteridin-1-ium-6-yl)methylamino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-2,3-dihydro-1H-pteridin-1-ium-6-yl)methylamino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-2,3-dihydro-1H-pteridin-1-ium-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-2,3-dihydro-1H-pteridin-1-ium-6-yl)methylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-2,3-dihydro-1H-pteridin-1-ium-6-yl)methylamino]benzoic acid Formula: C14H15N6O3+ MolecularWeight: 315.3073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC([NH2+]3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC([NH2+]3)N

InChI

InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,14,16H,5,15H2,(H,17,19)(H,20,21)(H,22,23)/p+1