tert-butyl 4-[[[6-[(4-cyano-2-ethyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[6-[(4-cyano-2-ethyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(4-cyano-2-ethyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(4-cyano-2-ethylanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(4-cyano-2-ethylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-cyano-2-ethyl-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34N6O2 MolecularWeight: 450.57646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#N)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C#N)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H34N6O2/c1-6-20-13-19(15-26)7-8-21(20)29-22-14-23(28-17-27-22)30(5)16-18-9-11-31(12-10-18)24(32)33-25(2,3)4/h7-8,13-14,17-18H,6,9-12,16H2,1-5H3,(H,27,28,29)