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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-[2-[(4-dimethylaminophenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-[2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[N'-[4-(dimethylamino)benzylidene]hydrazino]-3-methyl-xanthine Formula: C22H22BrN7O2 MolecularWeight: 496.35978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN7O2/c1-28(2)17-9-7-14(8-10-17)12-24-27-21-25-19-18(20(31)26-22(32)29(19)3)30(21)13-15-5-4-6-16(23)11-15/h4-12H,13H2,1-3H3,(H,25,27)(H,26,31,32)