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

Systemtic Name: tert-butyl 4-[[methyl-[6-[(2-pyridin-2-ylcarbonylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[methyl-[6-[2-(pyridine-2-carbonyl)anilino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-[2-[oxo(2-pyridinyl)methyl]anilino]-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-[2-(pyridine-2-carbonyl)anilino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[methyl-[6-(2-picolinoylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=CC=C3C(=O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=CC=C3C(=O)C4=CC=CC=N4

InChI

InChI=1S/C28H34N6O3/c1-28(2,3)37-27(36)34-15-12-20(13-16-34)18-33(4)25-17-24(30-19-31-25)32-22-10-6-5-9-21(22)26(35)23-11-7-8-14-29-23/h5-11,14,17,19-20H,12-13,15-16,18H2,1-4H3,(H,30,31,32)