5-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 2-(methylthio)-5-piperonyl-1H-pyrimidin-6-one Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=O)N1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NC=C(C(=O)N1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N2O3S/c1-19-13-14-6-9(12(16)15-13)4-8-2-3-10-11(5-8)18-7-17-10/h2-3,5-6H,4,7H2,1H3,(H,14,15,16)