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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-ethyl-3-methyl-xanthine Formula: C16H14BrN7O3 MolecularWeight: 432.23146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H14BrN7O3/c1-3-24-11-12(23(2)16(27)20-14(11)26)19-15(24)22-21-10-8-6-7(17)4-5-9(8)18-13(10)25/h4-6H,3H2,1-2H3,(H,19,22)(H,18,21,25)(H,20,26,27)