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

Systemtic Name: 2-[[4-[(2-diazanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-hydrazino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-hydrazinyl-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-hydrazinyl-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-hydrazino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C19H20N8O6 MolecularWeight: 456.4121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N8O6/c20-27-19-25-15-14(17(31)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(30)24-12(18(32)33)5-6-13(28)29/h1-4,8,12,21H,5-7,20H2,(H,24,30)(H,28,29)(H,32,33)(H2,22,25,26,27,31)