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

Systemtic Name: 1-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-[(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=CN2C(=O)C3=C(NC2=O)N=CN3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/N2C(=O)C3=C(NC2=O)N=CN3

InChI

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