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

Systemtic Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-amylsulfinylethyl)-6-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-4-5-6-14-27(25)15-13-19-20(22-16(2)23-21(19)24)12-9-17-7-10-18(26-3)11-8-17/h7-12H,4-6,13-15H2,1-3H3,(H,22,23,24)/b12-9+