7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3,4-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-xanthine Formula: C22H20ClFN4O3 MolecularWeight: 442.870603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C22H20ClFN4O3/c1-12-8-9-14(10-13(12)2)31-21-25-19-18(20(29)27(4)22(30)26(19)3)28(21)11-15-16(23)6-5-7-17(15)24/h5-10H,11H2,1-4H3