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

Systemtic Name: (2R)-2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: (2R)-2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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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)/t6-/m1/s1