2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N2O4S/c1-8-4-13(18)16-14(15-8)21-6-10(17)9-2-3-11-12(5-9)20-7-19-11/h2-5H,6-7H2,1H3,(H,15,16,18)