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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-(1,4-dioxopentoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C20H25N5O8 MolecularWeight: 463.4412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCC(=O)C

Isomeric SMILES

CC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCC(=O)C

InChI

InChI=1S/C20H25N5O8/c1-10(26)3-5-15(28)31-8-13-12(33-16(29)6-4-11(2)27)7-14(32-13)25-9-22-17-18(25)23-20(21)24-19(17)30/h9,12-14H,3-8H2,1-2H3,(H3,21,23,24,30)