2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxyphosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxyphosphinic acid Traditional Name: 2-adenin-9-yloxyethoxymethyl(butoxy)phosphinic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(COCCON1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CCCCOP(=O)(COCCON1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C12H20N5O5P/c1-2-3-4-22-23(18,19)9-20-5-6-21-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,2-6,9H2,1H3,(H,18,19)(H2,13,14,15)