8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-3,7-dihydropurine-2,6-dione CAS Name: 8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-xanthine Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C16H16N4O5/c1-23-9-6-8(7-10(24-2)13(9)25-3)4-5-11-17-12-14(18-11)19-16(22)20-15(12)21/h4-7H,1-3H3,(H3,17,18,19,20,21,22)/b5-4+