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

Systemtic Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(4-dimethylaminophenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-butylsulfinylethyl)-6-[(E)-2-(4-dimethylaminophenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-5-6-14-27(26)15-13-19-20(22-16(2)23-21(19)25)12-9-17-7-10-18(11-8-17)24(3)4/h7-12H,5-6,13-15H2,1-4H3,(H,22,23,25)/b12-9+