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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-(piperonylthio)-6-propyl-1H-pyrimidin-4-one Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H16N2O3S/c1-2-3-11-7-14(18)17-15(16-11)21-8-10-4-5-12-13(6-10)20-9-19-12/h4-7H,2-3,8-9H2,1H3,(H,16,17,18)