hexyl 2-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanoate

Systemtic Name: hexyl 2-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethanoate Openeye Name: hexyl 2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-acetate CAS Name: 2-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyacetic acid hexyl ester IUPAC Name: hexyl 2-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate Traditional Name: 2-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-2-hydroxy-acetic acid hexyl ester Formula: C17H25N5O6 MolecularWeight: 395.4103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

Isomeric SMILES

CCCCCCOC(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

InChI

InChI=1S/C17H25N5O6/c1-2-3-4-5-6-27-17(26)12(25)13-10(23)11(24)16(28-13)22-8-21-9-14(18)19-7-20-15(9)22/h7-8,10-13,16,23-25H,2-6H2,1H3,(H2,18,19,20)