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

Systemtic Name: tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 2-[[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 2-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H37N7O2 MolecularWeight: 527.66048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CCCCN5C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CCCCN5C(=O)OC(C)(C)C

InChI

InChI=1S/C30H37N7O2/c1-21(22-10-6-5-7-11-22)34-28-31-16-15-27(35-28)37-20-33-25-18-23(13-14-26(25)37)32-19-24-12-8-9-17-36(24)29(38)39-30(2,3)4/h5-7,10-11,13-16,18,20-21,24,32H,8-9,12,17,19H2,1-4H3,(H,31,34,35)