2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-cyclopentyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCC3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCC3)C#N

InChI

InChI=1S/C22H26N4O2S/c1-22(2,3)15-10-8-14(9-11-15)19-17(12-23)20(28)26-21(25-19)29-13-18(27)24-16-6-4-5-7-16/h8-11,16H,4-7,13H2,1-3H3,(H,24,27)(H,25,26,28)