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

Systemtic Name: tert-butyl (2R,4S)-2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-4-azido-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,4S)-2-[(2-amino-6-chloro-purin-9-yl)methyl]-4-azido-pyrrolidine-1-carboxylate CAS Name: (2R,4S)-2-[(2-amino-6-chloro-9-purinyl)methyl]-4-azido-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4S)-2-[(2-amino-6-chloropurin-9-yl)methyl]-4-azidopyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-[(2-amino-6-chloro-purin-9-yl)methyl]-4-azido-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C15H20ClN9O2 MolecularWeight: 393.8314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CN2C=NC3=C2N=C(N=C3Cl)N)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1CN2C=NC3=C2N=C(N=C3Cl)N)N=[N+]=[N-]

InChI

InChI=1S/C15H20ClN9O2/c1-15(2,3)27-14(26)25-5-8(22-23-18)4-9(25)6-24-7-19-10-11(16)20-13(17)21-12(10)24/h7-9H,4-6H2,1-3H3,(H2,17,20,21)/t8-,9+/m0/s1