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

Systemtic Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3,7-trimethyl-xanthine Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N4O4/c1-19-13(7-5-10-4-6-11-12(8-10)25-9-24-11)18-15-14(19)16(22)21(3)17(23)20(15)2/h4-8H,9H2,1-3H3/b7-5+