1-(4-methylphenyl)-2-[[2-[[4-(methylsulfonylmethyl)phenyl]amino]pyrimidin-4-yl]amino]ethanol

Systemtic Name: 1-(4-methylphenyl)-2-[[2-[[4-(methylsulfonylmethyl)phenyl]amino]pyrimidin-4-yl]amino]ethanol Openeye Name: 2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]-1-(p-tolyl)ethanol CAS Name: 1-(4-methylphenyl)-2-[[2-[4-(methylsulfonylmethyl)anilino]-4-pyrimidinyl]amino]ethanol IUPAC Name: 1-(4-methylphenyl)-2-[[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]ethanol Traditional Name: 2-[[2-[4-(mesylmethyl)anilino]pyrimidin-4-yl]amino]-1-(p-tolyl)ethanol Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC2=NC(=NC=C2)NC3=CC=C(C=C3)CS(=O)(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC2=NC(=NC=C2)NC3=CC=C(C=C3)CS(=O)(=O)C)O

InChI

InChI=1S/C21H24N4O3S/c1-15-3-7-17(8-4-15)19(26)13-23-20-11-12-22-21(25-20)24-18-9-5-16(6-10-18)14-29(2,27)28/h3-12,19,26H,13-14H2,1-2H3,(H2,22,23,24,25)