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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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