2-[(3-methyl-2H-indazol-6-yl)-[2-[methylsulfonylmethyl(phenyl)amino]pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[(3-methyl-2H-indazol-6-yl)-[2-[methylsulfonylmethyl(phenyl)amino]pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[(3-methyl-2H-indazol-6-yl)-[2-[N-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[(3-methyl-2H-indazol-6-yl)-[2-[N-(methylsulfonylmethyl)anilino]-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[(3-methyl-2H-indazol-6-yl)-[2-[N-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[[2-[N-(mesylmethyl)anilino]pyrimidin-4-yl]-(3-methyl-2H-indazol-6-yl)amino]acetonitrile Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7O2S/c1-16-19-9-8-18(14-20(19)27-26-16)28(13-11-23)21-10-12-24-22(25-21)29(15-32(2,30)31)17-6-4-3-5-7-17/h3-10,12,14H,13,15H2,1-2H3,(H,26,27)