1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H22N4O5/c1-21-14(20-17-15(21)18(24)23(3)19(25)22(17)2)8-7-11-9-12(26-4)16(28-6)13(10-11)27-5/h7-10H,1-6H3/b8-7+