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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl octanoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octanoate CAS Name: octanoic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate Traditional Name: caprylic acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C18H27N5O5 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C18H27N5O5/c1-2-3-4-5-6-7-12(24)27-8-11-14(25)15(26)18(28-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H2,19,20,21)