N-(2,3-dimethylphenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2S/c1-14-7-6-10-18(15(14)2)23-19(25)11-17-12-20(26)24-21(22-17)27-13-16-8-4-3-5-9-16/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,22,24,26)