tert-butyl 4-[[4-[cyano(pyridin-2-yl)methyl]-5-methyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[cyano(pyridin-2-yl)methyl]-5-methyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[cyano(2-pyridyl)methyl]-5-methyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-[cyano(2-pyridinyl)methyl]-5-methyl-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[cyano(pyridin-2-yl)methyl]-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[cyano(2-pyridyl)methyl]-5-methyl-pyrimidin-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N6O2/c1-15-14-25-20(27-19(15)17(13-23)18-7-5-6-10-24-18)26-16-8-11-28(12-9-16)21(29)30-22(2,3)4/h5-7,10,14,16-17H,8-9,11-12H2,1-4H3,(H,25,26,27)