2-[2-[4-[(2-azanyl-4-oxidanylidene-2,3-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-2-oxidanylidene-ethyl]pentanedioic acid

Systemtic Name: 2-[2-[4-[(2-azanyl-4-oxidanylidene-2,3-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-2-oxidanylidene-ethyl]pentanedioic acid Openeye Name: 2-[2-[4-[(2-amino-4-oxo-2,3-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-2-oxo-ethyl]pentanedioic acid CAS Name: 2-[2-[4-[(2-amino-4-oxo-2,3-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid IUPAC Name: 2-[2-[4-[(2-amino-4-oxo-2,3-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid Traditional Name: 2-[2-[4-[(2-amino-4-keto-2,3-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-2-keto-ethyl]glutaric acid Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O6/c21-20-25-17-16(18(30)26-20)24-13(9-23-17)8-22-12-4-1-10(2-5-12)14(27)7-11(19(31)32)3-6-15(28)29/h1-2,4-5,9,11,20,22H,3,6-8,21H2,(H,23,25)(H,26,30)(H,28,29)(H,31,32)