5-hexyl-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-hexyl-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-hexyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-hexyl-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-hexyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-hexyl-4-hydroxy-1H-pyrimidin-6-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C17H22N2O2S/c1-2-3-4-8-11-14-15(20)18-17(19-16(14)21)22-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H2,18,19,20,21)