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

Systemtic Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-5-(2-isopentylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-5-[2-(3-methylbutylsulfinyl)ethyl]-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-5-(2-isoamylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S/c1-16(2)12-14-28(27)15-13-20-21(23-17(3)24-22(20)26)11-8-18-6-9-19(10-7-18)25(4)5/h6-11,16H,12-15H2,1-5H3,(H,23,24,26)/b11-8+