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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C

InChI

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