[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 2-methylpropanoate

Systemtic Name: [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 2-methylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid (2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl) ester Formula: C14H19N5O5 MolecularWeight: 337.33116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O

Isomeric SMILES

CC(C)C(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O

InChI

InChI=1S/C14H19N5O5/c1-6(2)14(22)24-10-9(21)7(3-20)23-13(10)19-5-18-8-11(15)16-4-17-12(8)19/h4-7,9-10,13,20-21H,3H2,1-2H3,(H2,15,16,17)