2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]-N-(phenylcarbamoyl)acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N5O3S/c1-13-7-9-14(10-8-13)18-16(11-22)19(28)26-21(25-18)30-12-17(27)24-20(29)23-15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,25,26,28)(H2,23,24,27,29)