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

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-propanoyloxy-oxolan-3-yl] propanoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-propanoyloxy-tetrahydrofuran-3-yl] propanoate CAS Name: propanoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(1-oxopropoxy)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-propanoyloxyoxolan-3-yl] propanoate Traditional Name: propionic acid (5-adenin-9-yl-2-methylol-4-propionyloxy-tetrahydrofuran-3-yl) ester Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(OC(C1OC(=O)CC)N2C=NC3=C2N=CN=C3N)CO

Isomeric SMILES

CCC(=O)OC1C(OC(C1OC(=O)CC)N2C=NC3=C2N=CN=C3N)CO

InChI

InChI=1S/C16H21N5O6/c1-3-9(23)26-12-8(5-22)25-16(13(12)27-10(24)4-2)21-7-20-11-14(17)18-6-19-15(11)21/h6-8,12-13,16,22H,3-5H2,1-2H3,(H2,17,18,19)