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

Systemtic Name: tert-butyl 4-[[[6-[(6-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-[(6-methoxy-3-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-[(6-methoxy-3-pyridinyl)amino]-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-[(6-methoxypyridin-3-yl)amino]pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-[(6-methoxy-3-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CN=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CN=C(C=C3)OC

InChI

InChI=1S/C22H32N6O3/c1-22(2,3)31-21(29)28-10-8-16(9-11-28)14-27(4)19-12-18(24-15-25-19)26-17-6-7-20(30-5)23-13-17/h6-7,12-13,15-16H,8-11,14H2,1-5H3,(H,24,25,26)