tert-butyl 2-nitro-6-phenylmethoxy-purine-9-carboxylate

Systemtic Name: tert-butyl 2-nitro-6-phenylmethoxy-purine-9-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-nitro-purine-9-carboxylate CAS Name: 2-nitro-6-phenylmethoxy-9-purinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-nitro-6-phenylmethoxypurine-9-carboxylate Traditional Name: 6-benzoxy-2-nitro-purine-9-carboxylic acid tert-butyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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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+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c1-17(2,3)27-16(23)21-10-18-12-13(21)19-15(22(24)25)20-14(12)26-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3