[2-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-4,5-bis(oxidanyl)oxan-3-yl] benzoate

Systemtic Name: [2-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-4,5-bis(oxidanyl)oxan-3-yl] benzoate Openeye Name: [2-(4-benzamido-2-oxo-pyrimidin-1-yl)-4,5-dihydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [2-(4-benzamido-2-oxo-1-pyrimidinyl)-4,5-dihydroxy-3-oxanyl] ester IUPAC Name: [2-(4-benzamido-2-oxopyrimidin-1-yl)-4,5-dihydroxyoxan-3-yl] benzoate Traditional Name: benzoic acid [2-(4-benzamido-2-keto-pyrimidin-1-yl)-4,5-dihydroxy-tetrahydropyran-3-yl] ester Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)O

Isomeric SMILES

C1C(C(C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)O

InChI

InChI=1S/C23H21N3O7/c27-16-13-32-21(19(18(16)28)33-22(30)15-9-5-2-6-10-15)26-12-11-17(25-23(26)31)24-20(29)14-7-3-1-4-8-14/h1-12,16,18-19,21,27-28H,13H2,(H,24,25,29,31)