2-[[5-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]pyrazin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]pyrazin-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]pyrazine-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[5-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-pyrazinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]pyrazine-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]pyrazinoyl]amino]glutaric acid Formula: C17H17N9O6 MolecularWeight: 443.37358

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)NC(=NC2=O)N)CNC3=NC=C(N=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(N=C2C(=N1)NC(=NC2=O)N)CNC3=NC=C(N=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H17N9O6/c18-17-25-13-12(15(30)26-17)23-7(4-22-13)3-20-10-6-19-9(5-21-10)14(29)24-8(16(31)32)1-2-11(27)28/h4-6,8H,1-3H2,(H,20,21)(H,24,29)(H,27,28)(H,31,32)(H3,18,22,25,26,30)