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

Systemtic Name: [(2S,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5S)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5S)-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1C[C@H](O[C@@H]1COC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C16H17N3O4/c17-13-8-9-19(16(21)18-13)14-7-6-12(23-14)10-22-15(20)11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H2,17,18,21)/t12-,14-/m0/s1