tert-butyl (2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidine-1-carboxylate CAS Name: (2R,4S)-4-azido-2-[(6-benzamido-9-purinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: (2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H25N9O3 MolecularWeight: 463.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C22H25N9O3/c1-22(2,3)34-21(33)31-10-15(28-29-23)9-16(31)11-30-13-26-17-18(24-12-25-19(17)30)27-20(32)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,24,25,27,32)/t15-,16+/m0/s1