[5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)-4-oxidanyl-oxolan-3-yl] pentanoate

Systemtic Name: [5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)-4-oxidanyl-oxolan-3-yl] pentanoate Openeye Name: [4-hydroxy-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl] pentanoate CAS Name: pentanoic acid [4-hydroxy-5-(hydroxymethyl)-2-(6-methoxy-9-purinyl)-3-oxolanyl] ester IUPAC Name: [4-hydroxy-5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-yl] pentanoate Traditional Name: valeric acid [4-hydroxy-2-(6-methoxypurin-9-yl)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3OC)CO)O

Isomeric SMILES

CCCCC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3OC)CO)O

InChI

InChI=1S/C16H22N4O6/c1-3-4-5-10(22)26-13-12(23)9(6-21)25-16(13)20-8-19-11-14(20)17-7-18-15(11)24-2/h7-9,12-13,16,21,23H,3-6H2,1-2H3