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

Systemtic Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-propyl-pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-propyl-pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-N4-propylpyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-4-N-propylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-[4-[(4-mesylbenzyl)amino]phenyl]pyrimidin-4-yl]-propyl-amine Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=C1C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C)CC)N

Isomeric SMILES

CCCNC1=NC(=NC(=C1C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)C)CC)N

InChI

InChI=1S/C23H29N5O2S/c1-4-14-25-22-21(20(5-2)27-23(24)28-22)17-8-10-18(11-9-17)26-15-16-6-12-19(13-7-16)31(3,29)30/h6-13,26H,4-5,14-15H2,1-3H3,(H3,24,25,27,28)