6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-amylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)CCC1=C(NC(=NC1=O)C)C=CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-5-6-7-14-29(26)15-13-18-19(23-16(2)24-22(18)25)12-11-17-9-8-10-20(27-3)21(17)28-4/h8-12H,5-7,13-15H2,1-4H3,(H,23,24,25)/b12-11+