N-[4-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2,2-dimethyl-propionamide Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN6O/c1-22(2,3)21(30)27-15-9-7-13(8-10-15)18-17-19(24-12-25-20(17)29-28-18)26-16-6-4-5-14(23)11-16/h4-12H,1-3H3,(H,27,30)(H2,24,25,26,28,29)