tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]indole-1-carboxylate CAS Name: 3-[1-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]indole-1-carboxylate Traditional Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H26N6O2 MolecularWeight: 454.52364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H26N6O2/c1-17(19-15-31(25(33)34-26(2,3)4)21-11-7-5-9-18(19)21)29-24-27-14-13-23(30-24)32-16-28-20-10-6-8-12-22(20)32/h5-17H,1-4H3,(H,27,29,30)