N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H24N4O2S/c1-4-6-16-12-18(25)23-20(22-16)27-13-19(26)24(8-5-7-21)17-10-14(2)9-15(3)11-17/h9-12H,4-6,8,13H2,1-3H3,(H,22,23,25)