tert-butyl 4-[[methyl-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[methyl-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[[2-(4-pyridyl)pyrimidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[(2-pyridin-4-yl-4-pyrimidinyl)methyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[[2-(4-pyridyl)pyrimidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)CC2=NC(=NC=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)CC2=NC(=NC=C2)C3=CC=NC=C3

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)29-21(28)27-13-8-17(9-14-27)15-26(4)16-19-7-12-24-20(25-19)18-5-10-23-11-6-18/h5-7,10-12,17H,8-9,13-16H2,1-4H3