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

Systemtic Name: cyclohexyl 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)OC2CCCCC2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SC(C)C(=O)OC2CCCCC2)C#N

InChI

InChI=1S/C16H21N3O3S/c1-3-13-12(9-17)14(20)19-16(18-13)23-10(2)15(21)22-11-7-5-4-6-8-11/h10-11H,3-8H2,1-2H3,(H,18,19,20)