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

Systemtic Name: diethyl 2-[[4-[(5-azanylidene-6-cyano-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]heptanedioate Openeye Name: diethyl 2-[[4-[(6-cyano-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]heptanedioate CAS Name: 2-[[[4-[(6-cyano-4-hydroxy-5-imino-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]heptanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(6-cyano-4-hydroxy-5-iminopyrazin-2-yl)methyl-methylamino]benzoyl]amino]heptanedioate Traditional Name: 2-[[4-[(6-cyano-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pimelic acid diethyl ester Formula: C25H32N6O6 MolecularWeight: 512.55818

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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(=N)C(=N2)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O6/c1-4-36-22(32)9-7-6-8-20(25(34)37-5-2)29-24(33)17-10-12-19(13-11-17)30(3)15-18-16-31(35)23(27)21(14-26)28-18/h10-13,16,20,27,35H,4-9,15H2,1-3H3,(H,29,33)