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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=C1C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C)CC)N

Isomeric SMILES

CCCCNC1=NC(=NC(=C1C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C)CC)N

InChI

InChI=1S/C24H31N5O2S/c1-4-6-15-26-23-22(21(5-2)28-24(25)29-23)18-9-11-19(12-10-18)27-16-17-7-13-20(14-8-17)32(3,30)31/h7-14,27H,4-6,15-16H2,1-3H3,(H3,25,26,28,29)