7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-ethyl-8-piperidin-1-yl-3-propyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-ethyl-8-piperidin-1-yl-3-propyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1-ethyl-8-(1-piperidyl)-3-propyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-8-(1-piperidinyl)-3-propylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-8-piperidin-1-yl-3-propylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1-ethyl-8-piperidino-3-propyl-xanthine Formula: C22H27ClFN5O2 MolecularWeight: 447.933483

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H27ClFN5O2/c1-3-11-28-19-18(20(30)27(4-2)22(28)31)29(14-15-16(23)9-8-10-17(15)24)21(25-19)26-12-6-5-7-13-26/h8-10H,3-7,11-14H2,1-2H3