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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC

InChI

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