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

Systemtic Name: (5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H9BrN2O4S MolecularWeight: 369.19056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)NC1=S

InChI

InChI=1S/C13H9BrN2O4S/c1-16-12(18)7(11(17)15-13(16)21)2-6-3-9-10(4-8(6)14)20-5-19-9/h2-4H,5H2,1H3,(H,15,17,21)/b7-2+