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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(2-dimethylaminoethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(2-dimethylaminoethylamino)-1,3-dimethyl-xanthine Formula: C18H22ClFN6O2 MolecularWeight: 408.857683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN6O2/c1-23(2)9-8-21-17-22-15-14(16(27)25(4)18(28)24(15)3)26(17)10-11-12(19)6-5-7-13(11)20/h5-7H,8-10H2,1-4H3,(H,21,22)