[5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [3-(1,4-dioxopentoxy)-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C24H31N5O9 MolecularWeight: 533.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(=O)CCC(=O)C)OC(=O)CCC(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(=O)CCC(=O)C)OC(=O)CCC(=O)C

InChI

InChI=1S/C24H31N5O9/c1-12(2)22(34)27-24-26-21-20(23(35)28-24)25-11-29(21)17-9-15(38-19(33)8-6-14(4)31)16(37-17)10-36-18(32)7-5-13(3)30/h11-12,15-17H,5-10H2,1-4H3,(H2,26,27,28,34,35)