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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C17H19ClFN5O3 MolecularWeight: 395.815863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClFN5O3/c1-22-14-13(15(26)23(2)17(22)27)24(16(21-14)20-7-4-8-25)9-10-11(18)5-3-6-12(10)19/h3,5-6,25H,4,7-9H2,1-2H3,(H,20,21)