5-[2-(2-methylpropylsulfanyl)ethyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[2-(2-methylpropylsulfanyl)ethyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-4-hydroxy-5-(2-isobutylsulfanylethyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[2-(2-methylpropylthio)ethyl]-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-4-hydroxy-5-[2-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidin-6-one Traditional Name: 2-benzyl-4-hydroxy-5-[2-(isobutylthio)ethyl]-1H-pyrimidin-6-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)CSCCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C17H22N2O2S/c1-12(2)11-22-9-8-14-16(20)18-15(19-17(14)21)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)