3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]-7-(2-phenoxyethyl)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-])CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CCOC4=CC=CC=C4

InChI

InChI=1S/C21H19N7O5/c1-26-18-17(19(29)24-21(26)30)27(10-11-33-16-8-3-2-4-9-16)20(23-18)25-22-13-14-6-5-7-15(12-14)28(31)32/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,29,30)/b22-13+