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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CCC(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

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