5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one CAS Name: 5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-25-16-9-7-15(8-10-16)18-17(11-12-23)19(24)22-20(21-18)26-13-14-5-3-2-4-6-14/h2-10,23H,11-13H2,1H3,(H,21,22,24)