2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)amino]benzoyl]amino]glutaric acid Formula: C18H17N7O6 MolecularWeight: 427.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C18H17N7O6/c19-18-24-14-13(16(29)25-18)23-11(7-20-14)21-9-3-1-8(2-4-9)15(28)22-10(17(30)31)5-6-12(26)27/h1-4,7,10H,5-6H2,(H,21,23)(H,22,28)(H,26,27)(H,30,31)(H3,19,20,24,25,29)