tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-(2,6-dimethylpyrimidin-4-yl)sulfanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-(2,6-dimethylpyrimidin-4-yl)sulfanyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-(2,6-dimethylpyrimidin-4-yl)sulfanyl-piperidine-1-carboxylate CAS Name: (2S,4R)-2-[(tert-butylamino)-oxomethyl]-4-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-(tert-butylcarbamoyl)-4-(2,6-dimethylpyrimidin-4-yl)sulfanylpiperidine-1-carboxylate Traditional Name: (2S,4R)-2-(tert-butylcarbamoyl)-4-[(2,6-dimethylpyrimidin-4-yl)thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC2CCN(C(C2)C(=O)NC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C)S[C@@H]2CCN([C@@H](C2)C(=O)NC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N4O3S/c1-13-11-17(23-14(2)22-13)29-15-9-10-25(19(27)28-21(6,7)8)16(12-15)18(26)24-20(3,4)5/h11,15-16H,9-10,12H2,1-8H3,(H,24,26)/t15-,16+/m1/s1