7-[2-[bis(2,6-dimethylphenyl)methoxy]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[bis(2,6-dimethylphenyl)methoxy]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[bis(2,6-dimethylphenyl)methoxy]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[bis(2,6-dimethylphenyl)methoxy]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[bis(2,6-dimethylphenyl)methoxy]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[bis(2,6-dimethylphenyl)methoxy]ethyl]-1,3-dimethyl-xanthine Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C26H30N4O3/c1-16-9-7-10-17(2)20(16)23(21-18(3)11-8-12-19(21)4)33-14-13-30-15-27-24-22(30)25(31)29(6)26(32)28(24)5/h7-12,15,23H,13-14H2,1-6H3