diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C23H27N7O6 MolecularWeight: 497.50378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O6/c1-3-35-17(31)10-9-16(22(34)36-4-2)28-20(32)13-5-7-14(8-6-13)25-11-15-12-26-19-18(27-15)21(33)30-23(24)29-19/h5-8,12,16,25H,3-4,9-11H2,1-2H3,(H,28,32)(H3,24,26,29,30,33)