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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(C1)CNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

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