(phenylmethyl) 4-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H26N6O2 MolecularWeight: 442.51294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2/c32-25(33-17-20-6-2-1-3-7-20)30-14-11-19(12-15-30)16-27-24-26-13-10-23(29-24)31-18-28-21-8-4-5-9-22(21)31/h1-10,13,18-19H,11-12,14-17H2,(H,26,27,29)