2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methanoyl-amino]pentanedioate

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methanoyl-amino]pentanedioate Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-formyl-amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-formylamino]pentanedioate IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]-formylamino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]-formyl-amino]glutarate Formula: C20H17N7O7-2 MolecularWeight: 467.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C=O)C(CCC(=O)[O-])C(=O)[O-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(C=O)C(CCC(=O)[O-])C(=O)[O-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C20H19N7O7/c21-20-25-16-15(17(31)26-20)24-12(8-23-16)7-22-11-3-1-10(2-4-11)18(32)27(9-28)13(19(33)34)5-6-14(29)30/h1-4,8-9,13,22H,5-7H2,(H,29,30)(H,33,34)(H3,21,23,25,26,31)/p-2