ethyl 2-[(2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidin-1-yl]ethanoate Openeye Name: ethyl 2-[(2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidin-1-yl]acetate CAS Name: 2-[(2R,4S)-4-azido-2-[(6-benzamido-9-purinyl)methyl]-1-pyrrolidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidin-1-yl]acetate Traditional Name: 2-[(2R,4S)-4-azido-2-[(6-benzamidopurin-9-yl)methyl]pyrrolidino]acetic acid ethyl ester Formula: C21H23N9O3 MolecularWeight: 449.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC(CC1CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)CN1C[C@H](C[C@@H]1CN2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C21H23N9O3/c1-2-33-17(31)11-29-9-15(27-28-22)8-16(29)10-30-13-25-18-19(23-12-24-20(18)30)26-21(32)14-6-4-3-5-7-14/h3-7,12-13,15-16H,2,8-11H2,1H3,(H,23,24,26,32)/t15-,16+/m0/s1