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

Systemtic Name: butan-2-yl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-5-8(3)20-13(19)9(4)21-14-16-11(6-2)10(7-15)12(18)17-14/h8-9H,5-6H2,1-4H3,(H,16,17,18)