tert-butyl (2S)-1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H34N6O4 MolecularWeight: 434.53246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCCC3C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC[C@H]3C(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N6O4/c1-5-6-13-30-19-24-16(22)15-17(25-19)27(20(29)23-15)12-8-11-26-10-7-9-14(26)18(28)31-21(2,3)4/h14H,5-13H2,1-4H3,(H,23,29)(H2,22,24,25)/t14-/m0/s1