4-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[[5-acetyl-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[5-acetyl-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]-1-(4-fluorophenyl)butan-1-one Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCCCC(=O)C3=CC=C(C=C3)F)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCCCC(=O)C3=CC=C(C=C3)F)C(=O)C

InChI

InChI=1S/C21H19FN2O3S/c1-13-19(14(2)25)21(24-20(23-13)18-6-3-11-27-18)28-12-4-5-17(26)15-7-9-16(22)10-8-15/h3,6-11H,4-5,12H2,1-2H3