4-[4-[[5-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methyl-phenyl]-N-methyl-benzamide

Systemtic Name: 4-[4-[[5-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methyl-phenyl]-N-methyl-benzamide Openeye Name: 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methyl-phenyl]-N-methyl-benzamide CAS Name: 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide IUPAC Name: 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methylphenyl]-N-methylbenzamide Traditional Name: 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-ethyl-2-methyl-phenyl]-N-methyl-benzamide Formula: C25H26ClN7O MolecularWeight: 475.97324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)C(=O)NC)C)NC3=NC=C(C(=N3)NC4=NNC(=C4)C)Cl

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)C(=O)NC)C)NC3=NC=C(C(=N3)NC4=NNC(=C4)C)Cl

InChI

InChI=1S/C25H26ClN7O/c1-5-16-12-19(17-6-8-18(9-7-17)24(34)27-4)14(2)10-21(16)29-25-28-13-20(26)23(31-25)30-22-11-15(3)32-33-22/h6-13H,5H2,1-4H3,(H,27,34)(H3,28,29,30,31,32,33)