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

Systemtic Name: tert-butyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[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]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCN5C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCN5C(=O)OC(C)(C)C

InChI

InChI=1S/C29H33N7O3/c1-19(20-9-6-5-7-10-20)32-27-30-15-14-25(34-27)36-18-31-22-17-21(12-13-23(22)36)33-26(37)24-11-8-16-35(24)28(38)39-29(2,3)4/h5-7,9-10,12-15,17-19,24H,8,11,16H2,1-4H3,(H,33,37)(H,30,32,34)