[5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O7/c1-13(26)7-8-19(27)31-15-11-18(30-16(15)12-25)24-10-9-17(23-21(24)29)22-20(28)14-5-3-2-4-6-14/h2-6,9-10,15-16,18,25H,7-8,11-12H2,1H3,(H,22,23,28,29)