tert-butyl 2-[(E)-[methyl-(4-nitrophenyl)carbonyl-amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate

Systemtic Name: tert-butyl 2-[(E)-[methyl-(4-nitrophenyl)carbonyl-amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-[(E)-[methyl-(4-nitrobenzoyl)amino]azo]purine-9-carboxylate CAS Name: 2-[(E)-[methyl-[(4-nitrophenyl)-oxomethyl]amino]azo]-6-phenylmethoxy-9-purinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-[methyl-(4-nitrobenzoyl)amino]diazenyl]-6-phenylmethoxypurine-9-carboxylate Traditional Name: 6-benzoxy-2-[(E)-[methyl-(4-nitrobenzoyl)amino]azo]purine-9-carboxylic acid tert-butyl ester Formula: C25H24N8O6 MolecularWeight: 532.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N=NN(C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)/N=N/N(C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N8O6/c1-25(2,3)39-24(35)32-15-26-19-20(32)27-23(28-21(19)38-14-16-8-6-5-7-9-16)29-30-31(4)22(34)17-10-12-18(13-11-17)33(36)37/h5-13,15H,14H2,1-4H3/b30-29+