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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=N1)C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=C(C=NC(=N1)C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C17H17N9O6/c18-17-25-12-11(14(29)26-17)23-8(6-20-12)5-19-7-3-21-13(22-4-7)15(30)24-9(16(31)32)1-2-10(27)28/h3-4,6,9,19H,1-2,5H2,(H,24,30)(H,27,28)(H,31,32)(H3,18,20,25,26,29)