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

Systemtic Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1,3-benzodioxol-5-ylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C12H9N3O4S/c16-10-7(11(17)15-12(20)14-10)4-13-6-1-2-8-9(3-6)19-5-18-8/h1-4,13H,5H2,(H2,14,15,16,17,20)