2-(6-aminopurin-9-yl)oxyethoxymethyl-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[[4-(2-methyl-1-oxopropoxy)phenyl]methoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[[4-(2-methylpropanoyloxy)phenyl]methoxy]phosphinic acid Traditional Name: 2-adenin-9-yloxyethoxymethyl-(4-isobutyryloxybenzyl)oxy-phosphinic acid Formula: C19H24N5O7P MolecularWeight: 465.396921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=C(C=C1)COP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(C)C(=O)OC1=CC=C(C=C1)COP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C19H24N5O7P/c1-13(2)19(25)31-15-5-3-14(4-6-15)9-30-32(26,27)12-28-7-8-29-24-11-23-16-17(20)21-10-22-18(16)24/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,26,27)(H2,20,21,22)