(2R)-2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: (2R)-2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: (2R)-2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]propionate Formula: C10H10N3O3S- MolecularWeight: 252.2697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)S[C@H](C)C(=O)[O-])C#N

InChI

InChI=1S/C10H11N3O3S/c1-3-7-6(4-11)8(14)13-10(12-7)17-5(2)9(15)16/h5H,3H2,1-2H3,(H,15,16)(H,12,13,14)/p-1/t5-/m1/s1