N4-(3-methyl-2H-indazol-6-yl)-N2-[3-(methylsulfonylmethyl)phenyl]-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-methyl-2H-indazol-6-yl)-N2-[3-(methylsulfonylmethyl)phenyl]-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: N4-(3-methyl-2H-indazol-6-yl)-N2-[3-(methylsulfonylmethyl)phenyl]-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: N4-(3-methyl-2H-indazol-6-yl)-N2-[3-(methylsulfonylmethyl)phenyl]-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 4-N-(3-methyl-2H-indazol-6-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: [2-[3-(mesylmethyl)anilino]pyrimidin-4-yl]-(3-methyl-2H-indazol-6-yl)-propargyl-amine Formula: C23H22N6O2S MolecularWeight: 446.52478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=NN1)N(CC#C)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C

Isomeric SMILES

CC1=C2C=CC(=CC2=NN1)N(CC#C)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C

InChI

InChI=1S/C23H22N6O2S/c1-4-12-29(19-8-9-20-16(2)27-28-21(20)14-19)22-10-11-24-23(26-22)25-18-7-5-6-17(13-18)15-32(3,30)31/h1,5-11,13-14H,12,15H2,2-3H3,(H,27,28)(H,24,25,26)