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

Systemtic Name: 1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dibutyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-quinone Formula: C24H32N4O5 MolecularWeight: 456.53468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5/c1-6-8-12-27-22-20(23(29)28(24(27)30)13-9-7-2)25-19(26-22)11-10-16-14-17(31-3)21(33-5)18(15-16)32-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,25,26)/b11-10+