8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[1-(4-bromophenyl)ethylidene]hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C22H21BrN6O2 MolecularWeight: 481.34514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)C4=CC=C(C=C4)Br

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)/C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN6O2/c1-14(16-8-10-17(23)11-9-16)26-27-21-24-19-18(20(30)25-22(31)28(19)2)29(21)13-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,30,31)/b26-14+