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

Systemtic Name: 3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-8-[2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-8-[N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C21H19N7O5 MolecularWeight: 449.41946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N7O5/c1-26-18-17(19(30)24-21(26)31)27(12-16(29)14-7-3-2-4-8-14)20(23-18)25-22-11-13-6-5-9-15(10-13)28(32)33/h2-11,16,29H,12H2,1H3,(H,23,25)(H,24,30,31)