7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxidanyl-2-phenyl-ethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxidanyl-2-phenyl-ethyl)amino]purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenyl-ethyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-[(2-hydroxy-2-phenyl-ethyl)amino]-1,3-dimethyl-xanthine Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(C3=CC=CC=C3)O)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(C3=CC=CC=C3)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O3/c1-26-19-18(20(30)27(2)22(26)31)28(13-14-8-10-16(23)11-9-14)21(25-19)24-12-17(29)15-6-4-3-5-7-15/h3-11,17,29H,12-13H2,1-2H3,(H,24,25)