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

Systemtic Name: 1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]nipecotic acid Formula: C17H26N6O4 MolecularWeight: 378.42614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCCC(C3)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCCC(C3)C(=O)O

InChI

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