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

Systemtic Name: 7-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(4-fluorobenzoyl)-1-piperidyl]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(4-fluorobenzoyl)piperidino]-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C22H26FN5O4 MolecularWeight: 443.471343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C22H26FN5O4/c1-25-20-18(21(31)26(2)22(25)32)28(13-24-20)12-17(29)11-27-9-7-15(8-10-27)19(30)14-3-5-16(23)6-4-14/h3-6,13,15,17,29H,7-12H2,1-2H3