(1R,2R)-N-(cyanomethyl)-2-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-(pyrimidin-2-ylsulfanylmethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[(2-pyrimidinylthio)methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-(pyrimidin-2-ylsulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[(2-pyrimidylthio)methyl]cyclohexanecarboxamide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=NC=CC=N2)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CSC2=NC=CC=N2)C(=O)NCC#N

InChI

InChI=1S/C14H18N4OS/c15-6-9-16-13(19)12-5-2-1-4-11(12)10-20-14-17-7-3-8-18-14/h3,7-8,11-12H,1-2,4-5,9-10H2,(H,16,19)/t11-,12+/m0/s1