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

Systemtic Name: 1,3-dibutyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-dibutyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione CAS Name: 1,3-dibutyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-dibutyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)C=CC3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C25H34N4O5/c1-7-9-13-28-23-21(24(30)29(25(28)31)14-10-8-2)27(3)20(26-23)12-11-17-15-18(32-4)22(34-6)19(16-17)33-5/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+