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

Systemtic Name: 1-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chloro-2-fluoro-phenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chloro-2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chloro-2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chloro-2-fluoro-benzyl)-3,7-dimethyl-xanthine Formula: C14H12ClFN4O2 MolecularWeight: 322.722083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C14H12ClFN4O2/c1-18-7-17-12-11(18)13(21)20(14(22)19(12)2)6-8-3-4-9(15)5-10(8)16/h3-5,7H,6H2,1-2H3