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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O

InChI

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