ethyl 4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC(=NC(=C1C#N)C)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC(=NC(=C1C#N)C)C

InChI

InChI=1S/C15H20N4O3S/c1-4-22-14(21)6-5-7-17-13(20)9-23-15-12(8-16)10(2)18-11(3)19-15/h4-7,9H2,1-3H3,(H,17,20)