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

Systemtic Name: 2-[2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-(o-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(2-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(2-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-2-[(2-methylbenzyl)thio]-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-16-7-5-6-10-18(16)15-28-22-24-19(14-21(27)25-22)13-20(26)23-12-11-17-8-3-2-4-9-17/h2-10,14H,11-13,15H2,1H3,(H,23,26)(H,24,25,27)