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

Systemtic Name: (2R)-2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionate Formula: C11H12N3O3S- MolecularWeight: 266.29628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SC(C)C(=O)[O-])C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)S[C@H](C)C(=O)[O-])C#N

InChI

InChI=1S/C11H13N3O3S/c1-3-4-8-7(5-12)9(15)14-11(13-8)18-6(2)10(16)17/h6H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)/p-1/t6-/m1/s1