diethyl 2-[[4-[(5-azanyl-6-cyano-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]heptanedioate

Systemtic Name: diethyl 2-[[4-[(5-azanyl-6-cyano-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]heptanedioate Openeye Name: diethyl 2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]heptanedioate CAS Name: 2-[[[4-[(5-amino-6-cyano-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]heptanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoyl]amino]heptanedioate Traditional Name: 2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pimelic acid diethyl ester Formula: C25H32N6O5 MolecularWeight: 496.55878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C#N)N

Isomeric SMILES

CCOC(=O)CCCCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C25H32N6O5/c1-4-35-22(32)9-7-6-8-20(25(34)36-5-2)30-24(33)17-10-12-19(13-11-17)31(3)16-18-15-28-23(27)21(14-26)29-18/h10-13,15,20H,4-9,16H2,1-3H3,(H2,27,28)(H,30,33)