6-[(cyclopropylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-[(cyclopropylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-[(cyclopropylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-[(cyclopropylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-[(cyclopropylamino)methyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[[2,6-diamino-5-[4-[(4-mesylbenzyl)amino]phenyl]pyrimidin-4-yl]methyl]amine Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)CNC4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)CNC4CC4

InChI

InChI=1S/C22H26N6O2S/c1-31(29,30)18-10-2-14(3-11-18)12-25-16-6-4-15(5-7-16)20-19(13-26-17-8-9-17)27-22(24)28-21(20)23/h2-7,10-11,17,25-26H,8-9,12-13H2,1H3,(H4,23,24,27,28)