4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H20N6OS/c1-14-19(21(30-2)27-28(14)17-6-4-3-5-7-17)18-12-13-24-22(26-18)25-16-10-8-15(9-11-16)20(23)29/h3-13H,1-2H3,(H2,23,29)(H,24,25,26)