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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-pentyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-pentyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-pentylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C18H22FN3O2S MolecularWeight: 363.449583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O2S/c1-2-3-4-9-20-16(23)10-15-11-17(24)22-18(21-15)25-12-13-5-7-14(19)8-6-13/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)(H,21,22,24)