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

Systemtic Name: 6-ethyl-N4-(2-methylpropyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-N4-isobutyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-N4-(2-methylpropyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-4-N-(2-methylpropyl)-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2-amino-4-ethyl-6-(isobutylamino)pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O2S/c1-5-21-22(23(27-14-16(2)3)29-24(25)28-21)18-8-10-19(11-9-18)26-15-17-6-12-20(13-7-17)32(4,30)31/h6-13,16,26H,5,14-15H2,1-4H3,(H3,25,27,28,29)