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

Systemtic Name: tert-butyl 4-[[methyl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NCC3=CN=CC=C3

InChI

InChI=1S/C22H32N6O2/c1-22(2,3)30-21(29)28-10-7-17(8-11-28)15-27(4)20-12-19(25-16-26-20)24-14-18-6-5-9-23-13-18/h5-6,9,12-13,16-17H,7-8,10-11,14-15H2,1-4H3,(H,24,25,26)