7-[(2-chlorophenyl)methyl]-8-(2-cyclooctylidenehydrazinyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(2-cyclooctylidenehydrazinyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-cyclooctylidenehydrazino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-cyclooctylidenehydrazinyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-cyclooctylidenehydrazinyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(N'-cyclooctylidenehydrazino)-1,3-dimethyl-xanthine Formula: C22H27ClN6O2 MolecularWeight: 442.94178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=C3CCCCCCC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=C3CCCCCCC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H27ClN6O2/c1-27-19-18(20(30)28(2)22(27)31)29(14-15-10-8-9-13-17(15)23)21(24-19)26-25-16-11-6-4-3-5-7-12-16/h8-10,13H,3-7,11-12,14H2,1-2H3,(H,24,26)