8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(N'E)-N'-piperonylidenehydrazino]xanthine Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H16N6O4/c1-20-12-13(21(2)16(24)22(3)14(12)23)18-15(20)19-17-7-9-4-5-10-11(6-9)26-8-25-10/h4-7H,8H2,1-3H3,(H,18,19)/b17-7+