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

Systemtic Name: 5-(2-cyclopentylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 5-(2-cyclopentylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 5-(2-cyclopentylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 5-(2-cyclopentylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-cyclopentylsulfinylethyl)-6-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=C(C(=CC=C2)OC)OC)CCS(=O)C3CCCC3

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=C(C(=CC=C2)OC)OC)CCS(=O)C3CCCC3

InChI

InChI=1S/C22H28N2O4S/c1-15-23-19(12-11-16-7-6-10-20(27-2)21(16)28-3)18(22(25)24-15)13-14-29(26)17-8-4-5-9-17/h6-7,10-12,17H,4-5,8-9,13-14H2,1-3H3,(H,23,24,25)/b12-11+