diethyl 2-[[5-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]pyrazin-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[5-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methyl-ethanoyl-amino]pyrazin-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[5-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetyl-amino]pyrazine-2-carbonyl]amino]pentanedioate CAS Name: 2-[[[5-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]-2-pyrazinyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methyl-acetylamino]pyrazine-2-carbonyl]amino]pentanedioate Traditional Name: 2-[[5-[(2-acetamido-4-keto-1H-pteridin-6-yl)methyl-acetyl-amino]pyrazinoyl]amino]glutaric acid diethyl ester Formula: C25H29N9O8 MolecularWeight: 583.55326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CN=C(C=N1)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CN=C(C=N1)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)C(=O)C

InChI

InChI=1S/C25H29N9O8/c1-5-41-19(37)8-7-16(24(40)42-6-2)31-22(38)17-10-27-18(11-26-17)34(14(4)36)12-15-9-28-21-20(30-15)23(39)33-25(32-21)29-13(3)35/h9-11,16H,5-8,12H2,1-4H3,(H,31,38)(H2,28,29,32,33,35,39)