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

Systemtic Name: 8-chloranyl-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C14H12ClFN4O2 MolecularWeight: 322.722083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)F

InChI

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