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

Systemtic Name: (2S)-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-pentyl-propanamide Openeye Name: (2S)-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-pentyl-propanamide CAS Name: (2S)-2-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]-N-pentylpropanamide IUPAC Name: (2S)-2-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-pentylpropanamide Traditional Name: (2S)-N-amyl-2-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]propionamide Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCNC(=O)[C@H](C)SC1=NC(=C(C(=O)N1C)CC2=CC=C(C=C2)F)C

InChI

InChI=1S/C21H28FN3O2S/c1-5-6-7-12-23-19(26)15(3)28-21-24-14(2)18(20(27)25(21)4)13-16-8-10-17(22)11-9-16/h8-11,15H,5-7,12-13H2,1-4H3,(H,23,26)/t15-/m0/s1