2-[[2-azanyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidin-4-yl]amino]ethanol

Systemtic Name: 2-[[2-azanyl-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[2-amino-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[2-amino-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]-4-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[2-amino-6-ethyl-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[2-amino-6-ethyl-5-[4-[(4-mesylbenzyl)amino]phenyl]pyrimidin-4-yl]amino]ethanol Formula: C22H27N5O3S MolecularWeight: 441.54648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3S/c1-3-19-20(21(24-12-13-28)27-22(23)26-19)16-6-8-17(9-7-16)25-14-15-4-10-18(11-5-15)31(2,29)30/h4-11,25,28H,3,12-14H2,1-2H3,(H3,23,24,26,27)