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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-diethylaminoethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(2-diethylaminoethylamino)-1,3-dimethyl-xanthine Formula: C20H26ClFN6O2 MolecularWeight: 436.910843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H26ClFN6O2/c1-5-27(6-2)11-10-23-19-24-17-16(18(29)26(4)20(30)25(17)3)28(19)12-13-14(21)8-7-9-15(13)22/h7-9H,5-6,10-12H2,1-4H3,(H,23,24)