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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)CCO

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Cl)CCO

InChI

InChI=1S/C20H19ClN2O3S/c1-26-16-8-4-14(5-9-16)18-17(10-11-24)19(25)23-20(22-18)27-12-13-2-6-15(21)7-3-13/h2-9,24H,10-12H2,1H3,(H,22,23,25)