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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(2-cycloheptylidenehydrazinyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-cycloheptylidenehydrazino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-cycloheptylidenehydrazinyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-cycloheptylidenehydrazinyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(N'-cycloheptylidenehydrazino)-1,3-dimethyl-xanthine Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=C3CCCCCC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=C3CCCCCC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H25ClN6O2/c1-26-18-17(19(29)27(2)21(26)30)28(13-14-9-7-8-12-16(14)22)20(23-18)25-24-15-10-5-3-4-6-11-15/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,23,25)