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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2N3CCCC(C3)C(=O)C4=CC=C(C=C4)F)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2N3CCCC(C3)C(=O)C4=CC=C(C=C4)F)N(C1=O)C

InChI

InChI=1S/C24H30FN5O3/c1-3-4-5-6-14-29-23(32)20-22(27(2)24(29)33)26-16-30(20)28-13-7-8-18(15-28)21(31)17-9-11-19(25)12-10-17/h9-12,16,18H,3-8,13-15H2,1-2H3