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

Systemtic Name: 4-[4-[[5-chloranyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methyl-phenyl]-N-methyl-benzamide Openeye Name: 4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methyl-phenyl]-N-methyl-benzamide CAS Name: 4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide IUPAC Name: 4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide Traditional Name: 4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methyl-phenyl]-N-methyl-benzamide Formula: C29H26ClN7O2 MolecularWeight: 540.01544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(C=C2)C(=O)NC)OC)NC3=NC=C(C(=N3)NC4=NNC(=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)C(=O)NC)OC)NC3=NC=C(C(=N3)NC4=NNC(=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H26ClN7O2/c1-17-13-24(25(39-3)14-21(17)18-9-11-20(12-10-18)28(38)31-2)33-29-32-16-22(30)27(35-29)34-26-15-23(36-37-26)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,31,38)(H3,32,33,34,35,36,37)