8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CCC5=CC=CC=C5

InChI

InChI=1S/C22H18BrN7O3/c1-29-18-17(20(32)26-22(29)33)30(10-9-12-5-3-2-4-6-12)21(25-18)28-27-16-14-11-13(23)7-8-15(14)24-19(16)31/h2-8,11H,9-10H2,1H3,(H,25,28)(H,24,27,31)(H,26,32,33)