2-[5-ethyl-1-(2-methylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[5-ethyl-1-(2-methylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[5-ethyl-6-hydroxy-1-(o-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[5-ethyl-6-hydroxy-1-(2-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[5-ethyl-6-hydroxy-1-(2-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[5-ethyl-6-hydroxy-4-keto-1-(o-tolyl)pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3C)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3C)O

InChI

InChI=1S/C21H21N3O3S/c1-3-16-19(26)23-21(24(20(16)27)17-12-8-7-9-14(17)2)28-13-18(25)22-15-10-5-4-6-11-15/h4-12,27H,3,13H2,1-2H3,(H,22,25)