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

Systemtic Name: tert-butyl 2-[(E)-[methyl(phenoxycarbonyl)amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-[(E)-[methyl(phenoxycarbonyl)amino]azo]purine-9-carboxylate CAS Name: 2-[(E)-[methyl-[oxo(phenoxy)methyl]amino]azo]-6-phenylmethoxy-9-purinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-[methyl(phenoxycarbonyl)amino]diazenyl]-6-phenylmethoxypurine-9-carboxylate Traditional Name: 6-benzoxy-2-[(E)-[carbophenoxy(methyl)amino]azo]purine-9-carboxylic acid tert-butyl ester Formula: C25H25N7O5 MolecularWeight: 503.5099

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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)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)/N=N/N(C)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N7O5/c1-25(2,3)37-24(34)32-16-26-19-20(32)27-22(28-21(19)35-15-17-11-7-5-8-12-17)29-30-31(4)23(33)36-18-13-9-6-10-14-18/h5-14,16H,15H2,1-4H3/b30-29+