5-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN=CC3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN=CC3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C13H11N3O4S/c17-11-8(12(18)16-13(21)15-11)5-14-4-7-1-2-9-10(3-7)20-6-19-9/h1-3,5,8H,4,6H2,(H2,15,16,17,18,21)