tert-butyl 4-[[methyl-[6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[methyl-[6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-[2-(3-pyridinyl)ethylamino]-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[6-[2-(3-pyridyl)ethylamino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H34N6O2 MolecularWeight: 426.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NCCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NCCC3=CN=CC=C3

InChI

InChI=1S/C23H34N6O2/c1-23(2,3)31-22(30)29-12-8-19(9-13-29)16-28(4)21-14-20(26-17-27-21)25-11-7-18-6-5-10-24-15-18/h5-6,10,14-15,17,19H,7-9,11-13,16H2,1-4H3,(H,25,26,27)