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

Systemtic Name: (2R)-2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: (2R)-2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: (2R)-2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]butyric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SC(CC)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-3-5-8-7(6-13)10(16)15-12(14-8)19-9(4-2)11(17)18/h9H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)/t9-/m1/s1