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

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propyl]benzoic acid Openeye Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl]benzoic acid CAS Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl]benzoic acid IUPAC Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-1H-pteridin-6-yl)propyl]benzoic acid Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C16H15N5O3/c17-16-20-13-12(14(22)21-16)19-11(8-18-13)3-1-2-9-4-6-10(7-5-9)15(23)24/h4-8H,1-3H2,(H,23,24)(H3,17,18,20,21,22)