propan-2-yl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Openeye Name: isopropyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate CAS Name: 3-[1-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Traditional Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylic acid isopropyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCCC(C1)C(C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C)OC(=O)N1CCCC(C1)C(C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H28N6O2/c1-15(2)30-22(29)27-12-6-7-17(13-27)16(3)25-21-23-11-10-20(26-21)28-14-24-18-8-4-5-9-19(18)28/h4-5,8-11,14-17H,6-7,12-13H2,1-3H3,(H,23,25,26)