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

Systemtic Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methyl-benzamide Openeye Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methyl-benzamide CAS Name: N-[4-[[4-(1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-4-methylbenzamide IUPAC Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4-methylbenzamide Traditional Name: N-[4-[[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]-4-methyl-benzamide Formula: C25H25N7OS MolecularWeight: 471.5773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N7OS/c1-16-4-6-18(7-5-16)24(33)26-19-8-10-20(11-9-19)34-25-28-21(27-22-14-17(2)30-31-22)15-23(29-25)32-12-3-13-32/h4-11,14-15H,3,12-13H2,1-2H3,(H,26,33)(H2,27,28,29,30,31)