N-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-cyclohexyl-2-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]propanamide IUPAC Name: N-cyclohexyl-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-cyclohexyl-2-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]propionamide Formula: C22H28FN3O2S MolecularWeight: 417.540023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)NC2CCCCC2)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC(C)C(=O)NC2CCCCC2)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O2S/c1-14-19(13-16-9-11-17(23)12-10-16)21(28)26(3)22(24-14)29-15(2)20(27)25-18-7-5-4-6-8-18/h9-12,15,18H,4-8,13H2,1-3H3,(H,25,27)