3-methyl-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-8-[N'-[1-(4-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C22H21N7O5 MolecularWeight: 463.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)NC(=O)N2C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=NNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)NC(=O)N2C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O5/c1-13(14-8-10-16(11-9-14)29(33)34)25-26-21-23-19-18(20(31)24-22(32)27(19)2)28(21)12-17(30)15-6-4-3-5-7-15/h3-11,17,30H,12H2,1-2H3,(H,23,26)(H,24,31,32)