7-[5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[5-[4-(4-fluorobenzoyl)-1-piperidyl]pentyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[5-[4-(4-fluorobenzoyl)piperidino]pentyl]-1,3-dimethyl-xanthine Formula: C24H30FN5O3 MolecularWeight: 455.525103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H30FN5O3/c1-27-22-20(23(32)28(2)24(27)33)30(16-26-22)13-5-3-4-12-29-14-10-18(11-15-29)21(31)17-6-8-19(25)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3