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

Systemtic Name: tert-butyl 4-[[[6-[(4-ethylsulfanylphenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(4-ethylsulfanylanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-[4-(ethylthio)anilino]-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[6-(4-ethylsulfanylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-[4-(ethylthio)anilino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H35N5O2S MolecularWeight: 457.632

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H35N5O2S/c1-6-32-20-9-7-19(8-10-20)27-21-15-22(26-17-25-21)28(5)16-18-11-13-29(14-12-18)23(30)31-24(2,3)4/h7-10,15,17-18H,6,11-14,16H2,1-5H3,(H,25,26,27)