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

Systemtic Name: (2S)-1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]proline Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O4/c1-2-3-10-27-16-20-13(18)12-14(21-16)23(17(26)19-12)9-5-8-22-7-4-6-11(22)15(24)25/h11H,2-10H2,1H3,(H,19,26)(H,24,25)(H2,18,20,21)/t11-/m0/s1