3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)-8-[2-(phenylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-2-phenyl-ethyl)-8-[2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-(2-benzylidenehydrazino)-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-(2-benzylidenehydrazinyl)-7-(2-hydroxy-2-phenylethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(N'-benzalhydrazino)-7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-xanthine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3/c1-26-18-17(19(29)24-21(26)30)27(13-16(28)15-10-6-3-7-11-15)20(23-18)25-22-12-14-8-4-2-5-9-14/h2-12,16,28H,13H2,1H3,(H,23,25)(H,24,29,30)