N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[4-(1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]-4-methyl-benzenesulfonamide Formula: C24H25N7O2S2 MolecularWeight: 507.631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=NNC(=C4)C)N5CCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)NC4=NNC(=C4)C)N5CCC5

InChI

InChI=1S/C24H25N7O2S2/c1-16-4-10-20(11-5-16)35(32,33)30-18-6-8-19(9-7-18)34-24-26-21(25-22-14-17(2)28-29-22)15-23(27-24)31-12-3-13-31/h4-11,14-15,30H,3,12-13H2,1-2H3,(H2,25,26,27,28,29)