3-methyl-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C22H21N7O6 MolecularWeight: 479.44544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C22H21N7O6/c1-27-19-18(20(31)25-22(27)32)28(12-16(30)13-35-17-5-3-2-4-6-17)21(24-19)26-23-11-14-7-9-15(10-8-14)29(33)34/h2-11,16,30H,12-13H2,1H3,(H,24,26)(H,25,31,32)