6-ethyl-N4-methyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-N4-methyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-N4-methyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-N4-methyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-4-N-methyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-[4-[(4-mesylbenzyl)amino]phenyl]pyrimidin-4-yl]-methyl-amine Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)NC)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)NC)C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O2S/c1-4-18-19(20(23-2)26-21(22)25-18)15-7-9-16(10-8-15)24-13-14-5-11-17(12-6-14)29(3,27)28/h5-12,24H,4,13H2,1-3H3,(H3,22,23,25,26)