[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2,3-dimethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2,3-dimethanoyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-2,3-diformyl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-2,3-diformyl-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-2,3-diformyl-3,4-dihydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-2,3-diformyl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)O)(C=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)O)(C=O)O)C=O

InChI

InChI=1S/C18H17N3O8/c19-12-6-7-21(16(26)20-12)14-13(24)18(27,9-23)17(8-22,29-14)10-28-15(25)11-4-2-1-3-5-11/h1-9,13-14,24,27H,10H2,(H2,19,20,26)