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

Systemtic Name: ditert-butyl 2-[[4-[(5-azanyl-6-cyano-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(5-amino-6-cyano-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(5-amino-6-cyano-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C27H36N6O5 MolecularWeight: 524.61194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C#N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C27H36N6O5/c1-26(2,3)37-22(34)13-12-20(25(36)38-27(4,5)6)32-24(35)17-8-10-19(11-9-17)33(7)16-18-15-30-23(29)21(14-28)31-18/h8-11,15,20H,12-13,16H2,1-7H3,(H2,29,30)(H,32,35)