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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(2-cinnamylidenehydrazinyl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(2-cinnamylidenehydrazino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(2-cinnamylidenehydrazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(2-cinnamylidenehydrazinyl)-3-methylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(N'-cinnamylidenehydrazino)-3-methyl-xanthine Formula: C22H19ClN6O2 MolecularWeight: 434.87826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC=CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC=CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN6O2/c1-28-19-18(20(30)26-22(28)31)29(14-16-9-11-17(23)12-10-16)21(25-19)27-24-13-5-8-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,25,27)(H,26,30,31)