5-[(4-ethylphenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-ethylphenyl)methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-[(4-ethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(4-ethylphenyl)methyl]-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-[(4-ethylphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-(4-ethylbenzyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O2S/c1-2-14-8-10-15(11-9-14)12-17-18(23)21-20(22-19(17)24)25-13-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H2,21,22,23,24)