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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C16H17ClFN5O3 MolecularWeight: 381.789283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H17ClFN5O3/c1-21-13-12(14(25)22(2)16(21)26)23(15(20-13)19-6-7-24)8-9-10(17)4-3-5-11(9)18/h3-5,24H,6-8H2,1-2H3,(H,19,20)