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

Systemtic Name: 1-[2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxyethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxyethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]ethyl]isonipecotic acid Formula: C23H31N7O5 MolecularWeight: 485.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCN4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H31N7O5/c1-2-3-11-35-22-27-19(24)18-20(28-22)30(23(33)26-18)14-15-4-5-17(25-13-15)34-12-10-29-8-6-16(7-9-29)21(31)32/h4-5,13,16H,2-3,6-12,14H2,1H3,(H,26,33)(H,31,32)(H2,24,27,28)