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

Systemtic Name: tert-butyl 4-[[[6-[(6-acetamidopyridin-3-yl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-[(6-acetamido-3-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-[(6-acetamido-3-pyridinyl)amino]-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-[(6-acetamidopyridin-3-yl)amino]pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-[(6-acetamido-3-pyridyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33N7O3 MolecularWeight: 455.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N7O3/c1-16(31)27-19-7-6-18(13-24-19)28-20-12-21(26-15-25-20)29(5)14-17-8-10-30(11-9-17)22(32)33-23(2,3)4/h6-7,12-13,15,17H,8-11,14H2,1-5H3,(H,24,27,31)(H,25,26,28)