5-methyl-2-(4-oxidanylbutylsulfanyl)-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-methyl-2-(4-oxidanylbutylsulfanyl)-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-(4-hydroxybutylsulfanyl)-5-methyl-1H-pyrimidin-4-one CAS Name: 2-(4-hydroxybutylthio)-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-(4-hydroxybutylsulfanyl)-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-(4-hydroxybutylthio)-5-methyl-1H-pyrimidin-4-one Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCCCCO)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=NC1=O)SCCCCO)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S/c1-12-14(11-13-7-3-2-4-8-13)17-16(18-15(12)20)21-10-6-5-9-19/h2-4,7-8,19H,5-6,9-11H2,1H3,(H,17,18,20)