1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C20H20ClFN6O2 MolecularWeight: 430.863203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C

InChI

InChI=1S/C20H20ClFN6O2/c1-5-26-16-17(23-19(26)28-12(3)9-11(2)24-28)25(4)20(30)27(18(16)29)10-13-14(21)7-6-8-15(13)22/h6-9H,5,10H2,1-4H3