[2-(6-aminopurin-9-yl)ethoxymethyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-[(2-methyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-adenin-9-ylethoxymethyl(isobutyryloxymethoxy)phosphoryl]oxymethyl ester Formula: C18H28N5O8P MolecularWeight: 473.417381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)C

InChI

InChI=1S/C18H28N5O8P/c1-12(2)17(24)28-9-30-32(26,31-10-29-18(25)13(3)4)11-27-6-5-23-8-22-14-15(19)20-7-21-16(14)23/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,19,20,21)