3-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(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)SCCC(=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-2-3-8-7(6-12)10(17)14-11(13-8)18-5-4-9(15)16/h2-5H2,1H3,(H,15,16)(H,13,14,17)/p-1