[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-octanoyloxy-oxolan-2-yl]methyl octanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-octanoyloxy-oxolan-2-yl]methyl octanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-octanoyloxy-tetrahydrofuran-2-yl]methyl octanoate CAS Name: octanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-(1-oxooctoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate Traditional Name: caprylic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-caprylyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H41N5O6 MolecularWeight: 519.63364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCCCCCC

InChI

InChI=1S/C26H41N5O6/c1-3-5-7-9-11-13-21(32)35-16-19-18(37-22(33)14-12-10-8-6-4-2)15-20(36-19)31-17-28-23-24(31)29-26(27)30-25(23)34/h17-20H,3-16H2,1-2H3,(H3,27,29,30,34)