[3,4-diacetyloxy-5-[6-(butanoylamino)-2-oct-1-ynyl-purin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[6-(butanoylamino)-2-oct-1-ynyl-purin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[6-(butanoylamino)-2-oct-1-ynyl-purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-oct-1-ynyl-6-(1-oxobutylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[6-(butanoylamino)-2-oct-1-ynylpurin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(6-butyramido-2-oct-1-ynyl-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C28H37N5O8 MolecularWeight: 571.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=NC2=C(C(=N1)NC(=O)CCC)N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC#CC1=NC2=C(C(=N1)NC(=O)CCC)N=CN2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H37N5O8/c1-6-8-9-10-11-12-14-21-30-26(32-22(37)13-7-2)23-27(31-21)33(16-29-23)28-25(40-19(5)36)24(39-18(4)35)20(41-28)15-38-17(3)34/h16,20,24-25,28H,6-11,13,15H2,1-5H3,(H,30,31,32,37)