[2-(6-aminopurin-9-yl)ethoxymethyl-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate CAS Name: propanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-(1-oxopropoxymethoxy)phosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate Traditional Name: propionic acid [2-adenin-9-ylethoxymethyl(propionyloxymethoxy)phosphoryl]oxymethyl ester Formula: C16H24N5O8P MolecularWeight: 445.364221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N5O8P/c1-3-12(22)26-9-28-30(24,29-10-27-13(23)4-2)11-25-6-5-21-8-20-14-15(17)18-7-19-16(14)21/h7-8H,3-6,9-11H2,1-2H3,(H2,17,18,19)