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

Systemtic Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-4-hydroxy-5-[(4-isobutoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-4-hydroxy-5-(4-isobutoxybenzyl)-1H-pyrimidin-6-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O3S/c1-15(2)13-27-18-10-8-16(9-11-18)12-19-20(25)23-22(24-21(19)26)28-14-17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H2,23,24,25,26)