1-[(4-chlorophenyl)methyl]-8-(2-cyclohexylidenehydrazinyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(2-cyclohexylidenehydrazinyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(2-cyclohexylidenehydrazino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(2-cyclohexylidenehydrazinyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(2-cyclohexylidenehydrazinyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(N'-cyclohexylidenehydrazino)-3,7-dimethyl-xanthine Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=C3CCCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NN=C3CCCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H23ClN6O2/c1-25-16-17(22-19(25)24-23-15-6-4-3-5-7-15)26(2)20(29)27(18(16)28)12-13-8-10-14(21)11-9-13/h8-11H,3-7,12H2,1-2H3,(H,22,24)