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

Systemtic Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-5-6-13-28(25)14-12-17-18(22-15(2)23-21(17)24)11-10-16-8-7-9-19(26-3)20(16)27-4/h7-11H,5-6,12-14H2,1-4H3,(H,22,23,24)/b11-10+