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

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxolan-3-yl] 2-methylpropanoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(2-methylpropanoyloxy)tetrahydrofuran-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(2-methyl-1-oxopropoxy)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxolan-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid (5-adenin-9-yl-4-isobutyryloxy-2-methylol-tetrahydrofuran-3-yl) ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O6/c1-8(2)17(25)28-12-10(5-24)27-16(13(12)29-18(26)9(3)4)23-7-22-11-14(19)20-6-21-15(11)23/h6-10,12-13,16,24H,5H2,1-4H3,(H2,19,20,21)