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

Systemtic Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-propyl-hexanamide Openeye Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-propyl-hexanamide CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-propylhexanamide IUPAC Name: 2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-propylhexanamide Traditional Name: 2-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]-N-propyl-hexanamide Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)F)C

Isomeric SMILES

CCCCC(C(=O)NCCC)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)F)C

InChI

InChI=1S/C22H30FN3O2S/c1-5-7-8-19(20(27)24-13-6-2)29-22-25-15(3)18(21(28)26(22)4)14-16-9-11-17(23)12-10-16/h9-12,19H,5-8,13-14H2,1-4H3,(H,24,27)