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

Systemtic Name: diethyl 2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[2-(2-amino-4-oxo-1H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[2-(2-amino-4-keto-1H-pteridin-6-yl)ethylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C24H29N7O6 MolecularWeight: 511.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C24H29N7O6/c1-3-36-18(32)10-9-17(23(35)37-4-2)29-21(33)14-5-7-15(8-6-14)26-12-11-16-13-27-20-19(28-16)22(34)31-24(25)30-20/h5-8,13,17,26H,3-4,9-12H2,1-2H3,(H,29,33)(H3,25,27,30,31,34)