2-[[5-[(4-chlorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-(4-chlorobenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]thio]-N-p-cumenyl-acetamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H22ClN3O3S/c1-13(2)15-5-9-17(10-6-15)24-19(27)12-30-22-25-20(28)18(21(29)26-22)11-14-3-7-16(23)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H2,25,26,28,29)