2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S/c1-16-8-9-17(2)19(12-16)15-29-23-25-20(14-22(28)26-23)13-21(27)24-11-10-18-6-4-3-5-7-18/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,27)(H,25,26,28)