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

Systemtic Name: [(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate Openeye Name: [(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate CAS Name: butanoic acid [(2S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl butanoate Traditional Name: butyric acid [(2S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1OC(CS1)N2C=CC(=NC2=O)N

Isomeric SMILES

CCCC(=O)OC[C@H]1O[C@H](CS1)N2C=CC(=NC2=O)N

InChI

InChI=1S/C12H17N3O4S/c1-2-3-10(16)18-6-11-19-9(7-20-11)15-5-4-8(13)14-12(15)17/h4-5,9,11H,2-3,6-7H2,1H3,(H2,13,14,17)/t9-,11+/m1/s1