N-(2-aminophenyl)-4-[[(2-methylsulfanyl-6-pyridin-3-yl-pyrimidin-4-yl)amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[(2-methylsulfanyl-6-pyridin-3-yl-pyrimidin-4-yl)amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[2-methylsulfanyl-6-(3-pyridyl)pyrimidin-4-yl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[2-(methylthio)-6-(3-pyridinyl)-4-pyrimidinyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(2-methylsulfanyl-6-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[2-(methylthio)-6-(3-pyridyl)pyrimidin-4-yl]amino]methyl]benzamide Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CN=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CN=CC=C4

InChI

InChI=1S/C24H22N6OS/c1-32-24-29-21(18-5-4-12-26-15-18)13-22(30-24)27-14-16-8-10-17(11-9-16)23(31)28-20-7-3-2-6-19(20)25/h2-13,15H,14,25H2,1H3,(H,28,31)(H,27,29,30)