4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzenesulfonamide CAS Name: 4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]benzenesulfonamide Traditional Name: N-benzyl-4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S2/c1-14-12-18(23-19(21-14)26-2)22-16-8-10-17(11-9-16)27(24,25)20-13-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3,(H,21,22,23)