diethyl 2-[[4-[(4-azanyl-2-azanylidene-8-oxidanyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(4-azanyl-2-azanylidene-8-oxidanyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(4-amino-8-hydroxy-2-imino-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(4-amino-8-hydroxy-2-imino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(4-amino-8-hydroxy-2-iminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(4-amino-8-hydroxy-2-imino-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C24H30N8O6 MolecularWeight: 526.545

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C3=NC(=N)N=C(C3=N2)N)O

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C3=NC(=N)N=C(C3=N2)N)O

InChI

InChI=1S/C24H30N8O6/c1-4-37-18(33)11-10-17(23(35)38-5-2)28-22(34)14-6-8-16(9-7-14)31(3)12-15-13-32(36)21-19(27-15)20(25)29-24(26)30-21/h6-9,13,17,36H,4-5,10-12H2,1-3H3,(H,28,34)(H3,25,26,29)