[2-[6-(dimethylamino)purin-9-yl]-4,5-bis(oxidanyl)oxan-3-yl] pentanoate

Systemtic Name: [2-[6-(dimethylamino)purin-9-yl]-4,5-bis(oxidanyl)oxan-3-yl] pentanoate Openeye Name: [2-[6-(dimethylamino)purin-9-yl]-4,5-dihydroxy-tetrahydropyran-3-yl] pentanoate CAS Name: pentanoic acid [2-[6-(dimethylamino)-9-purinyl]-4,5-dihydroxy-3-oxanyl] ester IUPAC Name: [2-[6-(dimethylamino)purin-9-yl]-4,5-dihydroxyoxan-3-yl] pentanoate Traditional Name: valeric acid [2-[6-(dimethylamino)purin-9-yl]-4,5-dihydroxy-tetrahydropyran-3-yl] ester Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1C(C(COC1N2C=NC3=C2N=CN=C3N(C)C)O)O

Isomeric SMILES

CCCCC(=O)OC1C(C(COC1N2C=NC3=C2N=CN=C3N(C)C)O)O

InChI

InChI=1S/C17H25N5O5/c1-4-5-6-11(24)27-14-13(25)10(23)7-26-17(14)22-9-20-12-15(21(2)3)18-8-19-16(12)22/h8-10,13-14,17,23,25H,4-7H2,1-3H3