5-[(3-methyl-4-propoxy-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(3-methyl-4-propoxy-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(3-methyl-4-propoxy-phenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(3-methyl-4-propoxy-benzyl)-2-(methylthio)-1H-pyrimidin-6-one Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)O)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)O)C

InChI

InChI=1S/C16H20N2O3S/c1-4-7-21-13-6-5-11(8-10(13)2)9-12-14(19)17-16(22-3)18-15(12)20/h5-6,8H,4,7,9H2,1-3H3,(H2,17,18,19,20)