8-chloranyl-7-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[4-(4-fluorophenyl)-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[4-(4-fluorophenyl)-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C17H16ClFN4O3 MolecularWeight: 378.785343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16ClFN4O3/c1-21-14-13(15(25)22(2)17(21)26)23(16(18)20-14)9-3-4-12(24)10-5-7-11(19)8-6-10/h5-8H,3-4,9H2,1-2H3