[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-ethylbutanoyloxymethoxy)phosphinothioyl]oxymethyl 2-ethylbutanoate

Systemtic Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-ethylbutanoyloxymethoxy)phosphinothioyl]oxymethyl 2-ethylbutanoate Openeye Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(2-ethylbutanoyloxymethoxy)phosphinothioyl]oxymethyl 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-ethyl-1-oxobutoxy)methoxy]phosphinothioyl]oxymethyl ester IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-ethylbutanoyloxymethoxy)phosphinothioyl]oxymethyl 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [[(1R)-2-adenin-9-yl-1-methyl-ethoxy]methyl-(2-ethylbutanoyloxymethoxy)thiophosphoryl]oxymethyl ester Formula: C23H38N5O7PS MolecularWeight: 559.615881

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCOP(=S)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)C(CC)CC

Isomeric SMILES

CCC(CC)C(=O)OCOP(=S)(CO[C@H](C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)C(CC)CC

InChI

InChI=1S/C23H38N5O7PS/c1-6-17(7-2)22(29)31-13-34-36(37,35-14-32-23(30)18(8-3)9-4)15-33-16(5)10-28-12-27-19-20(24)25-11-26-21(19)28/h11-12,16-18H,6-10,13-15H2,1-5H3,(H2,24,25,26)/t16-/m1/s1