8-(4-chloranyl-3,5-dimethyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-3,5-dimethyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-3,5-dimethyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-3,5-dimethylphenoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-3,5-dimethylphenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-3,5-dimethyl-phenoxy)-1,3,7-trimethyl-xanthine Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H17ClN4O3/c1-8-6-10(7-9(2)11(8)17)24-15-18-13-12(19(15)3)14(22)21(5)16(23)20(13)4/h6-7H,1-5H3