7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(4-ethyl-1-piperazin-4-iumyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-xanthine Formula: C20H25ClFN6O2+ MolecularWeight: 435.902903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24ClFN6O2/c1-4-26-8-10-27(11-9-26)19-23-17-16(18(29)25(3)20(30)24(17)2)28(19)12-13-14(21)6-5-7-15(13)22/h5-7H,4,8-12H2,1-3H3/p+1