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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-ethyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1-ethyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1-ethyl-3-methyl-8-piperidino-xanthine Formula: C20H23ClFN5O2 MolecularWeight: 419.880323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4CCCCC4)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4CCCCC4)N(C1=O)C

InChI

InChI=1S/C20H23ClFN5O2/c1-3-26-18(28)16-17(24(2)20(26)29)23-19(25-10-5-4-6-11-25)27(16)12-13-14(21)8-7-9-15(13)22/h7-9H,3-6,10-12H2,1-2H3