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

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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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)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-17(2,3)11-6-4-10(5-7-11)14-12(8-18)15(23)21-16(20-14)24-9-13(19)22/h4-7H,9H2,1-3H3,(H2,19,22)(H,20,21,23)