[2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxy-oxolan-3-yl] propanoate

Systemtic Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxy-oxolan-3-yl] propanoate Openeye Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxy-tetrahydrofuran-3-yl] propanoate CAS Name: propanoic acid [2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)-4-(1-oxopropoxy)-3-oxolanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-4-propanoyloxyoxolan-3-yl] propanoate Traditional Name: propionic acid [5-(6-methoxypurin-9-yl)-2-methylol-4-propionyloxy-tetrahydrofuran-3-yl] ester Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(OC(C1OC(=O)CC)N2C=NC3=C2N=CN=C3OC)CO

Isomeric SMILES

CCC(=O)OC1C(OC(C1OC(=O)CC)N2C=NC3=C2N=CN=C3OC)CO

InChI

InChI=1S/C17H22N4O7/c1-4-10(23)27-13-9(6-22)26-17(14(13)28-11(24)5-2)21-8-20-12-15(21)18-7-19-16(12)25-3/h7-9,13-14,17,22H,4-6H2,1-3H3