6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-isopentylsulfinylethyl)-6-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one Traditional Name: 5-(2-isoamylsulfinylethyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-15(2)11-13-27(25)14-12-19-20(22-16(3)23-21(19)24)10-7-17-5-8-18(26-4)9-6-17/h5-10,15H,11-14H2,1-4H3,(H,22,23,24)/b10-7+