1-[3-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxypropyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]propyl]isonipecotic acid Formula: C24H33N7O5 MolecularWeight: 499.56272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCN4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H33N7O5/c1-2-3-12-36-23-28-20(25)19-21(29-23)31(24(34)27-19)15-16-5-6-18(26-14-16)35-13-4-9-30-10-7-17(8-11-30)22(32)33/h5-6,14,17H,2-4,7-13,15H2,1H3,(H,27,34)(H,32,33)(H2,25,28,29)