tert-butyl 2-[(E)-[methyl(pyridin-3-ylcarbonyl)amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate

Systemtic Name: tert-butyl 2-[(E)-[methyl(pyridin-3-ylcarbonyl)amino]diazenyl]-6-phenylmethoxy-purine-9-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-[(E)-[methyl(pyridine-3-carbonyl)amino]azo]purine-9-carboxylate CAS Name: 2-[(E)-[methyl-[oxo(3-pyridinyl)methyl]amino]azo]-6-phenylmethoxy-9-purinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-[methyl(pyridine-3-carbonyl)amino]diazenyl]-6-phenylmethoxypurine-9-carboxylate Traditional Name: 6-benzoxy-2-[(E)-[methyl(nicotinoyl)amino]azo]purine-9-carboxylic acid tert-butyl ester Formula: C24H24N8O4 MolecularWeight: 488.49856

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N8O4/c1-24(2,3)36-23(34)32-15-26-18-19(32)27-22(28-20(18)35-14-16-9-6-5-7-10-16)29-30-31(4)21(33)17-11-8-12-25-13-17/h5-13,15H,14H2,1-4H3/b30-29+