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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

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