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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3-(1,4-dioxopentoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N

Isomeric SMILES

CC(=O)CCC(=O)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N

InChI

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