tert-butyl 4-[2-(2-methylsulfanylpyrimidin-4-yl)ethanoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-methylsulfanylpyrimidin-4-yl)ethanoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-methylsulfanylpyrimidin-4-yl)acetyl]piperidine-1-carboxylate CAS Name: 4-[2-[2-(methylthio)-4-pyrimidinyl]-1-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-methylsulfanylpyrimidin-4-yl)acetyl]piperidine-1-carboxylate Traditional Name: 4-[2-[2-(methylthio)pyrimidin-4-yl]acetyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CC2=NC(=NC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CC2=NC(=NC=C2)SC

InChI

InChI=1S/C17H25N3O3S/c1-17(2,3)23-16(22)20-9-6-12(7-10-20)14(21)11-13-5-8-18-15(19-13)24-4/h5,8,12H,6-7,9-11H2,1-4H3