7-[(4-bromophenyl)methyl]-3-methyl-8-[(2Z)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-3-methyl-8-[(2Z)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2Z)-2-benzylidenehydrazino]-7-[(4-bromophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-3-methyl-8-[(2Z)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2Z)-2-benzylidenehydrazinyl]-7-[(4-bromophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-benzalhydrazino]-7-(4-bromobenzyl)-3-methyl-xanthine Formula: C20H17BrN6O2 MolecularWeight: 453.29198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\C3=CC=CC=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN6O2/c1-26-17-16(18(28)24-20(26)29)27(12-14-7-9-15(21)10-8-14)19(23-17)25-22-11-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,25)(H,24,28,29)/b22-11-