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

Systemtic Name: 4-oxidanyl-2-(phenylmethylsulfanyl)-5-propyl-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-(phenylmethylthio)-5-propyl-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-4-hydroxy-5-propyl-1H-pyrimidin-6-one Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C14H16N2O2S/c1-2-6-11-12(17)15-14(16-13(11)18)19-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H2,15,16,17,18)