2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-tosyl-acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S2/c1-14-8-10-17(11-9-14)30(27,28)24-19(25)13-29-21-22-15(2)18(20(26)23-21)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,25)(H,22,23,26)