6-ethyl-5-[4-[[(4-methylsulfonylphenyl)amino]methyl]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[[(4-methylsulfonylphenyl)amino]methyl]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[(4-methylsulfonylanilino)methyl]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-methylsulfonylanilino)methyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-methylsulfonylanilino)methyl]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)benzyl]-(4-mesylphenyl)amine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CNC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CNC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N5O2S/c1-3-17-18(19(21)25-20(22)24-17)14-6-4-13(5-7-14)12-23-15-8-10-16(11-9-15)28(2,26)27/h4-11,23H,3,12H2,1-2H3,(H4,21,22,24,25)