tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H35N7O2 MolecularWeight: 513.6339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CCCN5C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CCCN5C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35N7O2/c1-20(21-9-6-5-7-10-21)33-27-30-15-14-26(34-27)36-19-32-24-17-22(12-13-25(24)36)31-18-23-11-8-16-35(23)28(37)38-29(2,3)4/h5-7,9-10,12-15,17,19-20,23,31H,8,11,16,18H2,1-4H3,(H,30,33,34)