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

Systemtic Name: 1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)vinyl]-7H-purine-2,6-quinone Formula: C20H24N4O3 MolecularWeight: 368.42956

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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=C3C)OC)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3C)OC)C

InChI

InChI=1S/C20H24N4O3/c1-6-23-18-17(19(25)24(7-2)20(23)26)21-16(22-18)9-8-14-10-13(4)15(27-5)11-12(14)3/h8-11H,6-7H2,1-5H3,(H,21,22)/b9-8+