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

Systemtic Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-4-oxidanyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one Openeye Name: 2-allylsulfanyl-4-hydroxy-5-[(4-isobutoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-(prop-2-enylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one Traditional Name: 2-(allylthio)-4-hydroxy-5-(4-isobutoxybenzyl)-1H-pyrimidin-6-one Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-4-9-24-18-19-16(21)15(17(22)20-18)10-13-5-7-14(8-6-13)23-11-12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H2,19,20,21,22)