6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-5-(2-pentylsulfinylethyl)-1H-pyrimidin-4-one Traditional Name: 5-(2-amylsulfinylethyl)-6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-1H-pyrimidin-4-one Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)CCC1=C(NC(=NC1=O)C)C=C(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2S/c1-4-5-6-12-27(26)13-11-19-20(23-16(3)24-21(19)25)14-15(2)17-7-9-18(22)10-8-17/h7-10,14H,4-6,11-13H2,1-3H3,(H,23,24,25)/b15-14+