7-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(4-fluorobenzoyl)piperidino]propyl]-1,3-dimethyl-xanthine Formula: C22H26FN5O3 MolecularWeight: 427.471943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5O3/c1-25-20-18(21(30)26(2)22(25)31)28(14-24-20)11-3-10-27-12-8-16(9-13-27)19(29)15-4-6-17(23)7-5-15/h4-7,14,16H,3,8-13H2,1-2H3