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

Systemtic Name: diethyl (2S)-2-[[4-[(5-azanyl-6-cyano-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(5-amino-6-cyano-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C23H28N6O5 MolecularWeight: 468.50562

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

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C23H28N6O5/c1-4-33-20(30)11-10-18(23(32)34-5-2)28-22(31)15-6-8-17(9-7-15)29(3)14-16-13-26-21(25)19(12-24)27-16/h6-9,13,18H,4-5,10-11,14H2,1-3H3,(H2,25,26)(H,28,31)/t18-/m0/s1