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

Systemtic Name: [5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(6-benzamido-9-purinyl)-3-(1,4-dioxopentoxy)-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C27H29N5O9 MolecularWeight: 567.54726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O9/c1-15(33)8-10-19(35)39-12-18-23(41-20(36)11-9-16(2)34)22(37)27(40-18)32-14-30-21-24(28-13-29-25(21)32)31-26(38)17-6-4-3-5-7-17/h3-7,13-14,18,22-23,27,37H,8-12H2,1-2H3,(H,28,29,31,38)