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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-ethyl-1,3-dimethyl-xanthine Formula: C17H16BrN7O3 MolecularWeight: 446.25804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H16BrN7O3/c1-4-25-12-13(23(2)17(28)24(3)15(12)27)20-16(25)22-21-11-9-7-8(18)5-6-10(9)19-14(11)26/h5-7H,4H2,1-3H3,(H,20,22)(H,19,21,26)