6-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,7-dihydropurine-2-thione

Systemtic Name: 6-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,7-dihydropurine-2-thione Openeye Name: 6-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-1,7-dihydropurine-2-thione CAS Name: 6-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,7-dihydropurine-2-thione IUPAC Name: 6-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,7-dihydropurine-2-thione Traditional Name: 6-[(N'E)-N'-piperonylidenehydrazino]-1,7-dihydropurine-2-thione Formula: C13H10N6O2S MolecularWeight: 314.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC3=C4C(=NC(=S)N3)N=CN4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC3=C4C(=NC(=S)N3)N=CN4

InChI

InChI=1S/C13H10N6O2S/c22-13-17-11-10(14-5-15-11)12(18-13)19-16-4-7-1-2-8-9(3-7)21-6-20-8/h1-5H,6H2,(H3,14,15,17,18,19,22)/b16-4+