[2-(6-aminopurin-9-yl)ethoxymethyl-(cyclobutylcarbonyloxymethoxy)phosphinothioyl]oxymethyl cyclobutanecarboxylate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(cyclobutylcarbonyloxymethoxy)phosphinothioyl]oxymethyl cyclobutanecarboxylate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(cyclobutanecarbonyloxymethoxy)phosphinothioyl]oxymethyl cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-(6-aminopurin-9-yl)ethoxymethyl-[[cyclobutyl(oxo)methoxy]methoxy]phosphinothioyl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(cyclobutanecarbonyloxymethoxy)phosphinothioyl]oxymethyl cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-adenin-9-ylethoxymethyl(cyclobutanecarbonyloxymethoxy)thiophosphoryl]oxymethyl ester Formula: C20H28N5O7PS MolecularWeight: 513.504381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OCOP(=S)(COCCN2C=NC3=C2N=CN=C3N)OCOC(=O)C4CCC4

Isomeric SMILES

C1CC(C1)C(=O)OCOP(=S)(COCCN2C=NC3=C2N=CN=C3N)OCOC(=O)C4CCC4

InChI

InChI=1S/C20H28N5O7PS/c21-17-16-18(23-9-22-17)25(10-24-16)7-8-28-13-33(34,31-11-29-19(26)14-3-1-4-14)32-12-30-20(27)15-5-2-6-15/h9-10,14-15H,1-8,11-13H2,(H2,21,22,23)