2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-phenethyl-acetamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H22FN3O2S/c1-15-19(13-20(27)24-12-11-16-5-3-2-4-6-16)21(28)26-22(25-15)29-14-17-7-9-18(23)10-8-17/h2-10H,11-14H2,1H3,(H,24,27)(H,25,26,28)