8-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)OC

InChI

InChI=1S/C19H22N4O4/c1-11-13(26-5)9-7-12(16(11)27-6)8-10-14-20-17-15(21(14)2)18(24)23(4)19(25)22(17)3/h7-10H,1-6H3/b10-8+