2-[1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[5-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)pentyl]-4-piperidyl]acetic acid Formula: C21H34N6O4 MolecularWeight: 434.53246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCC(CC3)CC(=O)O

InChI

InChI=1S/C21H34N6O4/c1-2-3-13-31-20-24-18(22)17-19(25-20)27(21(30)23-17)10-6-4-5-9-26-11-7-15(8-12-26)14-16(28)29/h15H,2-14H2,1H3,(H,23,30)(H,28,29)(H2,22,24,25)