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

Systemtic Name: tert-butyl 4-[[methyl-[6-[(4-propan-2-ylsulfanylphenyl)amino]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[6-(4-isopropylsulfanylanilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[6-[4-(propan-2-ylthio)anilino]-4-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[methyl-[6-(4-propan-2-ylsulfanylanilino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-[4-(isopropylthio)anilino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H37N5O2S MolecularWeight: 471.65858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H37N5O2S/c1-18(2)33-21-9-7-20(8-10-21)28-22-15-23(27-17-26-22)29(6)16-19-11-13-30(14-12-19)24(31)32-25(3,4)5/h7-10,15,17-19H,11-14,16H2,1-6H3,(H,26,27,28)