tert-butyl 4-[[4-[methyl-(3-methyl-7-phenyl-benzimidazol-5-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[methyl-(3-methyl-7-phenyl-benzimidazol-5-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[methyl-(3-methyl-7-phenyl-benzimidazol-5-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-[methyl-(3-methyl-7-phenyl-5-benzimidazolyl)amino]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[methyl-(3-methyl-7-phenylbenzimidazol-5-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[methyl-(3-methyl-7-phenyl-benzimidazol-5-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35N7O2 MolecularWeight: 513.6339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=CC(=N2)N(C)C3=CC4=C(C(=C3)C5=CC=CC=C5)N=CN4C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=CC(=N2)N(C)C3=CC4=C(C(=C3)C5=CC=CC=C5)N=CN4C

InChI

InChI=1S/C29H35N7O2/c1-29(2,3)38-28(37)36-15-12-21(13-16-36)32-27-30-14-11-25(33-27)35(5)22-17-23(20-9-7-6-8-10-20)26-24(18-22)34(4)19-31-26/h6-11,14,17-19,21H,12-13,15-16H2,1-5H3,(H,30,32,33)