[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-3-(4-oxidanylidenepent-2-ynoyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-3-(4-oxidanylidenepent-2-ynoyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-3-(4-oxopent-2-ynoyloxy)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3-(1,4-dioxopent-2-ynoxy)-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-(4-oxopent-2-ynoyloxy)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-3-(4-ketopent-2-ynoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C21H19N3O8 MolecularWeight: 441.39086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C#CC(=O)OC1C(OC(C1O)N2C=CC(=NC2=O)N)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C#CC(=O)OC1C(OC(C1O)N2C=CC(=NC2=O)N)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O8/c1-12(25)7-8-16(26)32-18-14(11-30-20(28)13-5-3-2-4-6-13)31-19(17(18)27)24-10-9-15(22)23-21(24)29/h2-6,9-10,14,17-19,27H,11H2,1H3,(H2,22,23,29)