4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propylamino]benzoic acid

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propylamino]benzoic acid Openeye Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propylamino]benzoic acid CAS Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propylamino]benzoic acid IUPAC Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propylamino]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-1H-pteridin-6-yl)propylamino]benzoic acid Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C16H16N6O3/c17-16-21-13-12(14(23)22-16)20-11(8-19-13)2-1-7-18-10-5-3-9(4-6-10)15(24)25/h3-6,8,18H,1-2,7H2,(H,24,25)(H3,17,19,21,22,23)