1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-phenethyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-oxo-3-indolyl)hydrazo]-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-(2-ketoindol-3-yl)hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C23H21N7O3 MolecularWeight: 443.45794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C23H21N7O3/c1-28-19-18(21(32)29(2)23(28)33)30(13-12-14-8-4-3-5-9-14)22(25-19)27-26-17-15-10-6-7-11-16(15)24-20(17)31/h3-11H,12-13H2,1-2H3,(H,25,27)(H,24,26,31)