8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C22H18BrN7O3 MolecularWeight: 508.32742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CC5=CC=CC=C5

InChI

InChI=1S/C22H18BrN7O3/c1-28-18-17(20(32)29(2)22(28)33)30(11-12-6-4-3-5-7-12)21(25-18)27-26-16-14-10-13(23)8-9-15(14)24-19(16)31/h3-10H,11H2,1-2H3,(H,25,27)(H,24,26,31)