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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-diethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-diethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-diethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-diethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-diethyl-8-piperidino-xanthine Formula: C21H25ClFN5O2 MolecularWeight: 433.906903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H25ClFN5O2/c1-3-26-18-17(19(29)27(4-2)21(26)30)28(13-14-15(22)9-8-10-16(14)23)20(24-18)25-11-6-5-7-12-25/h8-10H,3-7,11-13H2,1-2H3