N-[6-(2-azanylethoxy)-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[6-(2-azanylethoxy)-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[6-(2-aminoethoxy)-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[6-(2-aminoethoxy)-2-(methylthio)-5-phenyl-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[6-(2-aminoethoxy)-2-methylsulfanyl-5-phenylpyrimidin-4-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[6-(2-aminoethoxy)-2-(methylthio)-5-phenyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)OCCN)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)OCCN)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3S2/c1-23(2,3)17-10-12-18(13-11-17)32(28,29)27-20-19(16-8-6-5-7-9-16)21(30-15-14-24)26-22(25-20)31-4/h5-13H,14-15,24H2,1-4H3,(H,25,26,27)