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

Systemtic Name: 8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-methoxy-2,5-dimethyl-phenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C)OC

InChI

InChI=1S/C19H22N4O3/c1-11-10-14(26-6)12(2)9-13(11)7-8-15-20-17-16(21(15)3)18(24)23(5)19(25)22(17)4/h7-10H,1-6H3/b8-7+