5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C=C3C(=O)NC(=S)NC3=O)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1C=C3C(=O)NC(=S)NC3=O)OCO2

InChI

InChI=1S/C13H10N2O5S/c1-18-8-4-10-9(19-5-20-10)3-6(8)2-7-11(16)14-13(21)15-12(7)17/h2-4H,5H2,1H3,(H2,14,15,16,17,21)