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

Systemtic Name: 1-[4-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenoxy]butyl]isonipecotic acid Formula: C26H36N6O5 MolecularWeight: 512.60124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCCCCN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCCCCN4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H36N6O5/c1-2-3-15-37-25-29-22(27)21-23(30-25)32(26(35)28-21)17-18-6-8-20(9-7-18)36-16-5-4-12-31-13-10-19(11-14-31)24(33)34/h6-9,19H,2-5,10-17H2,1H3,(H,28,35)(H,33,34)(H2,27,29,30)