N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-pyrimidylthio)acetamide Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C14H21N3OS/c1-10-5-3-6-12(11(10)2)17-13(18)9-19-14-15-7-4-8-16-14/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,17,18)/t10-,11+,12+/m0/s1