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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(2-furylmethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-furanylmethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(2-furfurylamino)-1,3-dimethyl-xanthine Formula: C19H17ClFN5O3 MolecularWeight: 417.821383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H17ClFN5O3/c1-24-16-15(17(27)25(2)19(24)28)26(10-12-13(20)6-3-7-14(12)21)18(23-16)22-9-11-5-4-8-29-11/h3-8H,9-10H2,1-2H3,(H,22,23)