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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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