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

Systemtic Name: butan-2-yl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)OC(C)CC)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)OC(C)CC)C#N

InChI

InChI=1S/C13H17N3O3S/c1-4-8(3)19-11(17)7-20-13-15-10(5-2)9(6-14)12(18)16-13/h8H,4-5,7H2,1-3H3,(H,15,16,18)