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

Systemtic Name: 6-chloranyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-chloro-5-[(4-isobutoxyphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-chloro-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-chloro-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-chloro-5-(4-isobutoxybenzyl)-2-(methylthio)-1H-pyrimidin-4-one Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SC)Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SC)Cl

InChI

InChI=1S/C16H19ClN2O2S/c1-10(2)9-21-12-6-4-11(5-7-12)8-13-14(17)18-16(22-3)19-15(13)20/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)