2-[[4-[(3-azanyl-2-azanylidene-4-oxidanylidene-4aH-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(3-azanyl-2-azanylidene-4-oxidanylidene-4aH-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(3-amino-2-imino-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(3-amino-2-imino-4-oxo-4aH-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(3-amino-2-imino-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(3-amino-2-imino-4-keto-4aH-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=NC3C(=NC(=N)N(C3=O)N)N=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3C(=NC(=N)N(C3=O)N)N=C2

InChI

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