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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H24N4O5/c1-7-24-15(21-18-16(24)19(25)23(3)20(26)22(18)2)9-8-12-10-13(27-4)17(29-6)14(11-12)28-5/h8-11H,7H2,1-6H3/b9-8+