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

Systemtic Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-isobutoxyphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(4-isobutoxybenzyl)-2-(methylthio)-1H-pyrimidin-6-one Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O

InChI

InChI=1S/C16H20N2O3S/c1-10(2)9-21-12-6-4-11(5-7-12)8-13-14(19)17-16(22-3)18-15(13)20/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)