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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCC3)SC4=CC=C(C=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCC3)SC4=CC=C(C=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N7OS/c1-17-14-22(31-30-17)27-21-16-23(32-12-5-13-32)29-25(28-21)34-20-10-8-19(9-11-20)26-24(33)15-18-6-3-2-4-7-18/h2-4,6-11,14,16H,5,12-13,15H2,1H3,(H,26,33)(H2,27,28,29,30,31)