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

Systemtic Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-quinone Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)/b7-6+