8-[(2E)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(2-chloro-6-fluoro-phenyl)methylene]hydrazino]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(2-chloro-6-fluoro-benzylidene)hydrazino]-3-methyl-7-octyl-xanthine Formula: C21H26ClFN6O2 MolecularWeight: 448.921543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=CC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C/C3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H26ClFN6O2/c1-3-4-5-6-7-8-12-29-17-18(28(2)21(31)26-19(17)30)25-20(29)27-24-13-14-15(22)10-9-11-16(14)23/h9-11,13H,3-8,12H2,1-2H3,(H,25,27)(H,26,30,31)/b24-13+