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

Systemtic Name: methyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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