5-[2-[(2,5-dimethylphenyl)methylsulfanyl]ethyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]ethyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-5-[2-[(2,5-dimethylphenyl)methylsulfanyl]ethyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[2-[(2,5-dimethylphenyl)methylthio]ethyl]-4-hydroxy-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-5-[2-[(2,5-dimethylphenyl)methylsulfanyl]ethyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-benzyl-5-[2-[(2,5-dimethylbenzyl)thio]ethyl]-4-hydroxy-1H-pyrimidin-6-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSCCC2=C(N=C(NC2=O)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCCC2=C(N=C(NC2=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O2S/c1-15-8-9-16(2)18(12-15)14-27-11-10-19-21(25)23-20(24-22(19)26)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,24,25,26)