8-[2-(2-bromanyl-3-phenyl-prop-2-enylidene)hydrazinyl]-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-(2-bromanyl-3-phenyl-prop-2-enylidene)hydrazinyl]-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(2-bromo-3-phenyl-prop-2-enylidene)hydrazino]-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(2-bromo-3-phenyl-prop-2-enylidene)hydrazino]-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C22H18BrFN6O2 MolecularWeight: 497.319723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18BrFN6O2/c1-29-19-18(20(31)27-22(29)32)30(13-15-7-9-17(24)10-8-15)21(26-19)28-25-12-16(23)11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,26,28)(H,27,31,32)