2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(2-isopropylphenyl)acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-o-cumenyl-acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-15(2)18-10-6-7-11-19(18)24-20(26)12-17-13-21(27)25-22(23-17)28-14-16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,24,26)(H,23,25,27)