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

Systemtic Name: tert-butyl 4-[[methyl-(2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[2-(4-pyridyl)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-(2-pyridin-4-yl-4-pyrimidinyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-(2-pyridin-4-ylpyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[2-(4-pyridyl)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-21(2,3)28-20(27)26-13-8-16(9-14-26)15-25(4)18-7-12-23-19(24-18)17-5-10-22-11-6-17/h5-7,10-12,16H,8-9,13-15H2,1-4H3