4-chloranyl-N-[4-[(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-[(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide Openeye Name: 4-chloro-N-[4-[(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide CAS Name: 4-chloro-N-[4-[(6-ethyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]cyclohexyl]benzamide IUPAC Name: 4-chloro-N-[4-[(6-ethyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide Traditional Name: 4-chloro-N-[4-[(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]benzamide Formula: C27H29ClN6O MolecularWeight: 489.01176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)NC4CCC(CC4)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)NC4CCC(CC4)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN6O/c1-3-23-31-25(24-17(2)33-34(26(24)32-23)22-7-5-4-6-8-22)29-20-13-15-21(16-14-20)30-27(35)18-9-11-19(28)12-10-18/h4-12,20-21H,3,13-16H2,1-2H3,(H,30,35)(H,29,31,32)