7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-pyridin-2-yloxy-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-pyridin-2-yloxy-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-(2-pyridyloxy)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-pyridinyloxy)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-pyridin-2-yloxypurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-(2-pyridyloxy)xanthine Formula: C19H15ClFN5O3 MolecularWeight: 415.805503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=N3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=N3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H15ClFN5O3/c1-24-16-15(17(27)25(2)19(24)28)26(10-11-12(20)6-5-7-13(11)21)18(23-16)29-14-8-3-4-9-22-14/h3-9H,10H2,1-2H3