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

Systemtic Name: tert-butyl 2-[(E)-[ethanoyl(methyl)amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate Openeye Name: tert-butyl 2-[(E)-[acetyl(methyl)amino]azo]-6-benzyloxy-purine-9-carboxylate CAS Name: 2-[(E)-[acetyl(methyl)amino]azo]-6-phenylmethoxy-9-purinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-[acetyl(methyl)amino]diazenyl]-6-phenylmethoxypurine-9-carboxylate Traditional Name: 2-[(E)-[acetyl(methyl)amino]azo]-6-benzoxy-purine-9-carboxylic acid tert-butyl ester Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N7O4/c1-13(28)26(5)25-24-18-22-16-15(21-12-27(16)19(29)31-20(2,3)4)17(23-18)30-11-14-9-7-6-8-10-14/h6-10,12H,11H2,1-5H3/b25-24+