2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(4-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(4-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-(2-hydroxyethyl)-6-(4-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(2-hydroxyethyl)-6-(p-tolyl)-1H-pyrimidin-4-one Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)CCO

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)CCO

InChI

InChI=1S/C20H19ClN2O2S/c1-13-2-6-15(7-3-13)18-17(10-11-24)19(25)23-20(22-18)26-12-14-4-8-16(21)9-5-14/h2-9,24H,10-12H2,1H3,(H,22,23,25)