tert-butyl 4-[[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[(5-cyano-2-thiazolyl)amino]-4-pyridinyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNCC2=CC(=NC=C2)NC3=NC=C(S3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNCC2=CC(=NC=C2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C21H28N6O2S/c1-21(2,3)29-20(28)27-8-5-15(6-9-27)12-23-13-16-4-7-24-18(10-16)26-19-25-14-17(11-22)30-19/h4,7,10,14-15,23H,5-6,8-9,12-13H2,1-3H3,(H,24,25,26)