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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=NNC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)/C(=N/NC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C)/C1=O

InChI

InChI=1S/C23H20BrN7O3/c1-29-16-9-8-14(24)12-15(16)17(21(29)33)27-28-22-25-19-18(20(32)26-23(34)30(19)2)31(22)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)(H,26,32,34)/b27-17-