4-[1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidin-4-yl]oxybenzoic acid

Systemtic Name: 4-[1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidin-4-yl]oxybenzoic acid Openeye Name: 4-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidyl]oxy]benzoic acid CAS Name: 4-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidinyl]oxy]benzoic acid IUPAC Name: 4-[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperidin-4-yl]oxybenzoic acid Traditional Name: 4-[[1-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl]-4-piperidyl]oxy]benzoic acid Formula: C25H34N6O5 MolecularWeight: 498.57466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H34N6O5/c1-2-3-16-35-24-28-21(26)20-22(29-24)31(25(34)27-20)13-5-4-12-30-14-10-19(11-15-30)36-18-8-6-17(7-9-18)23(32)33/h6-9,19H,2-5,10-16H2,1H3,(H,27,34)(H,32,33)(H2,26,28,29)