5-(2-butylsulfanylethyl)-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCSCCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C17H22N2O2S/c1-2-3-10-22-11-9-14-16(20)18-15(19-17(14)21)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,18,19,20,21)