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

Systemtic Name: tert-butyl 2-[(E)-[ethoxycarbonyl(methyl)amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-[(E)-[ethoxycarbonyl(methyl)amino]azo]purine-9-carboxylate CAS Name: 2-[(E)-[ethoxycarbonyl(methyl)amino]azo]-6-phenylmethoxy-9-purinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-[ethoxycarbonyl(methyl)amino]diazenyl]-6-phenylmethoxypurine-9-carboxylate Traditional Name: 6-benzoxy-2-[(E)-[carbethoxy(methyl)amino]azo]purine-9-carboxylic acid tert-butyl ester Formula: C21H25N7O5 MolecularWeight: 455.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)N=NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N(C)/N=N/C1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N7O5/c1-6-31-19(29)27(5)26-25-18-23-16-15(22-13-28(16)20(30)33-21(2,3)4)17(24-18)32-12-14-10-8-7-9-11-14/h7-11,13H,6,12H2,1-5H3/b26-25+