2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]-N-cyclohexyl-N-(4-fluorobenzyl)acetamide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)C#N

InChI

InChI=1S/C22H25FN4OS/c1-15-20(12-24)22(26-16(2)25-15)29-14-21(28)27(19-6-4-3-5-7-19)13-17-8-10-18(23)11-9-17/h8-11,19H,3-7,13-14H2,1-2H3