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

Systemtic Name: [(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl pentanoate Openeye Name: [(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [(2S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-2-3-4-11(17)19-7-12-20-10(8-21-12)16-6-5-9(14)15-13(16)18/h5-6,10,12H,2-4,7-8H2,1H3,(H2,14,15,18)/t10-,12+/m1/s1