6-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(2-furyl)vinyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(2-furanyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(furan-2-yl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-amylsulfinylethyl)-6-[(E)-2-(2-furyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)CCC1=C(NC(=NC1=O)C)C=CC2=CC=CO2

Isomeric SMILES

CCCCCS(=O)CCC1=C(NC(=NC1=O)C)/C=C/C2=CC=CO2

InChI

InChI=1S/C18H24N2O3S/c1-3-4-5-12-24(22)13-10-16-17(19-14(2)20-18(16)21)9-8-15-7-6-11-23-15/h6-9,11H,3-5,10,12-13H2,1-2H3,(H,19,20,21)/b9-8+