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

Systemtic Name: 8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-methoxy-2,3-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H22N4O3/c1-11-12(2)14(26-6)9-7-13(11)8-10-15-20-17-16(21(15)3)18(24)23(5)19(25)22(17)4/h7-10H,1-6H3/b10-8+