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

Systemtic Name: 5-butyl-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-butyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-butyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-butyl-4-hydroxy-1H-pyrimidin-6-one Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C15H18N2O2S/c1-2-3-9-12-13(18)16-15(17-14(12)19)20-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,19)