8-(3,5-dimethylphenoxy)-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylphenoxy)-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylphenoxy)-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethylphenoxy)-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylphenoxy)-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylphenoxy)-1,3,9-trimethyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C16H18N4O3/c1-9-6-10(2)8-11(7-9)23-15-17-12-13(18(15)3)19(4)16(22)20(5)14(12)21/h6-8H,1-5H3