tert-butyl [2-[[2-butyl-5-[[3-(cyclohexylamino)-3-oxidanylidene-propyl]amino]imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-5-[[3-(cyclohexylamino)-3-oxidanylidene-propyl]amino]imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-5-[[3-(cyclohexylamino)-3-oxo-propyl]amino]imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-5-[[3-(cyclohexylamino)-3-oxopropyl]amino]-3-imidazo[4,5-b]pyridinyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-5-[[3-(cyclohexylamino)-3-oxopropyl]amino]imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-5-[[3-(cyclohexylamino)-3-keto-propyl]amino]imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] ester Formula: C37H47N5O4 MolecularWeight: 625.80018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)N=C(C=C2)NCCC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)N=C(C=C2)NCCC(=O)NC5CCCCC5

InChI

InChI=1S/C37H47N5O4/c1-5-6-20-32-40-30-21-22-31(38-24-23-33(43)39-28-17-11-8-12-18-28)41-35(30)42(32)25-27-16-13-19-29(26-14-9-7-10-15-26)34(27)45-36(44)46-37(2,3)4/h7,9-10,13-16,19,21-22,28H,5-6,8,11-12,17-18,20,23-25H2,1-4H3,(H,38,41)(H,39,43)