[(2S,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate Openeye Name: [(2S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5S)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [(2S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5S)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)COC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1[C@H](O[C@@H](S1)COC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C15H15N3O4S/c16-11-6-7-18(15(20)17-11)12-9-23-13(22-12)8-21-14(19)10-4-2-1-3-5-10/h1-7,12-13H,8-9H2,(H2,16,17,20)/t12-,13-/m0/s1