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

Systemtic Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzamide Openeye Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]benzamide CAS Name: 3-methyl-4-[[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzamide Traditional Name: 3-methyl-4-[[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)NC2=NC=CC(=N2)C3=C(N(N=C3SC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)NC2=NC=CC(=N2)C3=C(N(N=C3SC)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N6OS/c1-14-13-16(21(24)30)9-10-18(14)26-23-25-12-11-19(27-23)20-15(2)29(28-22(20)31-3)17-7-5-4-6-8-17/h4-13H,1-3H3,(H2,24,30)(H,25,26,27)