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

Systemtic Name: 8-[2-[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[N'-(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)hydrazino]-1,3,7-trimethyl-xanthine Formula: C23H20BrN7O3 MolecularWeight: 522.354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=C3C4=C(C=CC(=C4)Br)N(C3=O)CC5=CC=CC=C5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NN=C3C4=C(C=CC(=C4)Br)N(C3=O)CC5=CC=CC=C5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H20BrN7O3/c1-28-18-19(29(2)23(34)30(3)21(18)33)25-22(28)27-26-17-15-11-14(24)9-10-16(15)31(20(17)32)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,25,27)