8-(3,5-dimethylphenoxy)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylphenoxy)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylphenoxy)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethylphenoxy)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylphenoxy)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylphenoxy)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C23H24N4O4/c1-14-10-15(2)12-18(11-14)31-22-24-20-19(21(28)26(4)23(29)25(20)3)27(22)13-16-6-8-17(30-5)9-7-16/h6-12H,13H2,1-5H3