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

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(6-benzamidopurin-9-yl)-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(6-benzamido-9-purinyl)-3-(1,4-dioxopentoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-(6-benzamidopurin-9-yl)-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C27H29N5O8 MolecularWeight: 551.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)CCC(=O)C

Isomeric SMILES

CC(=O)CCC(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)CCC(=O)C

InChI

InChI=1S/C27H29N5O8/c1-16(33)8-10-22(35)38-13-20-19(40-23(36)11-9-17(2)34)12-21(39-20)32-15-30-24-25(28-14-29-26(24)32)31-27(37)18-6-4-3-5-7-18/h3-7,14-15,19-21H,8-13H2,1-2H3,(H,28,29,31,37)