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

Systemtic Name: ethyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-3-8-7(5-12)10(16)14-11(13-8)18-6-9(15)17-4-2/h3-4,6H2,1-2H3,(H,13,14,16)