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

Systemtic Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-pyrimidylthio)propionamide Formula: C15H23N3OS MolecularWeight: 293.42762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NC=CC=N2

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NC=CC=N2

InChI

InChI=1S/C15H23N3OS/c1-10-6-4-7-13(11(10)2)18-14(19)12(3)20-15-16-8-5-9-17-15/h5,8-13H,4,6-7H2,1-3H3,(H,18,19)/t10-,11+,12+,13+/m0/s1