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

Systemtic Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-5-(2-cyclopentylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-5-(2-cyclopentylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-5-(2-cyclopentylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-5-(2-cyclopentylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-5-(2-cyclopentylsulfinylethyl)-2-methyl-1H-pyrimidin-4-one Formula: C21H25ClN2O2S MolecularWeight: 404.9534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=C(C)C2=CC=C(C=C2)Cl)CCS(=O)C3CCCC3

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C(\C)/C2=CC=C(C=C2)Cl)CCS(=O)C3CCCC3

InChI

InChI=1S/C21H25ClN2O2S/c1-14(16-7-9-17(22)10-8-16)13-20-19(21(25)24-15(2)23-20)11-12-27(26)18-5-3-4-6-18/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,23,24,25)/b14-13+