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

Systemtic Name: 8-[2-(6-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(6-bromo-2-oxo-indol-3-yl)hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(6-bromo-2-oxo-3-indolyl)hydrazo]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(6-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[N'-(6-bromo-2-keto-indol-3-yl)hydrazino]-1,3,7-trimethyl-xanthine Formula: C16H14BrN7O3 MolecularWeight: 432.23146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC3=C4C=CC(=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NNC3=C4C=CC(=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

InChI

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