6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-tert-butyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine CAS Name: 6-tert-butyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-tert-butyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine Traditional Name: benzyl-[6-tert-butyl-2-(4-mesylphenyl)pyrimidin-4-yl]amine Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-22(2,3)19-14-20(23-15-16-8-6-5-7-9-16)25-21(24-19)17-10-12-18(13-11-17)28(4,26)27/h5-14H,15H2,1-4H3,(H,23,24,25)