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

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(6-benzamido-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O6/c1-13(28)7-8-18(30)32-10-16-15(29)9-17(33-16)27-12-25-19-20(23-11-24-21(19)27)26-22(31)14-5-3-2-4-6-14/h2-6,11-12,15-17,29H,7-10H2,1H3,(H,23,24,26,31)