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

Systemtic Name: tert-butyl [3-[2-butyl-5-[[5-(cyclohexylamino)-5-oxidanylidene-pentyl]amino]imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-5-[[5-(cyclohexylamino)-5-oxo-pentyl]amino]imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-5-[[5-(cyclohexylamino)-5-oxopentyl]amino]-3-imidazo[4,5-b]pyridinyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-5-[[5-(cyclohexylamino)-5-oxopentyl]amino]imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-5-[[5-(cyclohexylamino)-5-keto-pentyl]amino]imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C39H51N5O4 MolecularWeight: 653.85334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)N=C(C=C2)NCCCCC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)N=C(C=C2)NCCCCC(=O)NC5CCCCC5

InChI

InChI=1S/C39H51N5O4/c1-6-7-20-34-42-31-23-25-33(40-26-15-14-21-35(45)41-29-18-12-9-13-19-29)43-37(31)44(34)32-24-22-30(28-16-10-8-11-17-28)36(27(32)2)47-38(46)48-39(3,4)5/h8,10-11,16-17,22-25,29H,6-7,9,12-15,18-21,26H2,1-5H3,(H,40,43)(H,41,45)