4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid

Systemtic Name: 4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid Openeye Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid CAS Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl-methylamino]benzoic acid IUPAC Name: 4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethyl-methylamino]benzoic acid Traditional Name: 4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethyl-methyl-amino]benzoic acid Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CCC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N6O3/c1-22(11-4-2-9(3-5-11)15(24)25)7-6-10-8-18-13-12(19-10)14(23)21-16(17)20-13/h2-5,8H,6-7H2,1H3,(H,24,25)(H3,17,18,20,21,23)