2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxidanyl-1-propyl-pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-oxidanyl-1-propyl-pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-hydroxy-1-propyl-pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-6-hydroxy-1-propyl-4-pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-hydroxy-1-propylpyrimidin-4-one Traditional Name: 6-hydroxy-2-(piperonylthio)-1-propyl-pyrimidin-4-one Formula: C15H16N2O4S MolecularWeight: 320.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C15H16N2O4S/c1-2-5-17-14(19)7-13(18)16-15(17)22-8-10-3-4-11-12(6-10)21-9-20-11/h3-4,6-7,19H,2,5,8-9H2,1H3