2-[[6-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]pyridin-3-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[6-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]pyridin-3-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[6-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]pyridine-3-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[6-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-3-pyridinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[6-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]pyridine-3-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[6-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]nicotinoyl]amino]glutaric acid Formula: C18H18N8O6 MolecularWeight: 442.38552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=NC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C18H18N8O6/c19-18-25-14-13(16(30)26-18)23-9(7-22-14)6-21-11-3-1-8(5-20-11)15(29)24-10(17(31)32)2-4-12(27)28/h1,3,5,7,10H,2,4,6H2,(H,20,21)(H,24,29)(H,27,28)(H,31,32)(H3,19,22,25,26,30)