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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-propyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-propyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-propylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-propylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-propyl-acetamide Formula: C16H18FN3O2S MolecularWeight: 335.396423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O2S/c1-2-7-18-14(21)8-13-9-15(22)20-16(19-13)23-10-11-3-5-12(17)6-4-11/h3-6,9H,2,7-8,10H2,1H3,(H,18,21)(H,19,20,22)