[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hexanoyloxymethyl)butyl] hexanoate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hexanoyloxymethyl)butyl] hexanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hexanoyloxymethyl)butyl] hexanoate CAS Name: hexanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(1-oxohexoxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hexanoyloxymethyl)butyl] hexanoate Traditional Name: hexanoic acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-(caproyloxymethyl)butyl] ester Formula: C22H35N5O5 MolecularWeight: 449.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)CCCCC

InChI

InChI=1S/C22H35N5O5/c1-3-5-7-9-17(28)31-13-16(14-32-18(29)10-8-6-4-2)11-12-27-15-24-19-20(27)25-22(23)26-21(19)30/h15-16H,3-14H2,1-2H3,(H3,23,25,26,30)