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

Systemtic Name: ethyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)OCC)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)OCC)C#N

InChI

InChI=1S/C12H15N3O3S/c1-4-9-8(6-13)10(16)15-12(14-9)19-7(3)11(17)18-5-2/h7H,4-5H2,1-3H3,(H,14,15,16)