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

Systemtic Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-methylsulfanyl-benzamide Openeye Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-methylsulfanyl-benzamide CAS Name: N-[4-[[4-(1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-2-(methylthio)benzamide IUPAC Name: N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-methylsulfanylbenzamide Traditional Name: N-[4-[[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]-2-(methylthio)benzamide Formula: C25H25N7OS2 MolecularWeight: 503.6423

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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)C5=CC=CC=C5SC

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCC3)SC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5SC

InChI

InChI=1S/C25H25N7OS2/c1-16-14-22(31-30-16)27-21-15-23(32-12-5-13-32)29-25(28-21)35-18-10-8-17(9-11-18)26-24(33)19-6-3-4-7-20(19)34-2/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,26,33)(H2,27,28,29,30,31)