[5-(6-aminopurin-9-yl)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(6-aminopurin-9-yl)-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(6-aminopurin-9-yl)-3-(1,4-dioxopentoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-adenin-9-yl-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C20H25N5O7 MolecularWeight: 447.4418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)CCC(=O)C

Isomeric SMILES

CC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)CCC(=O)C

InChI

InChI=1S/C20H25N5O7/c1-11(26)3-5-16(28)30-8-14-13(32-17(29)6-4-12(2)27)7-15(31-14)25-10-24-18-19(21)22-9-23-20(18)25/h9-10,13-15H,3-8H2,1-2H3,(H2,21,22,23)