4-[[1-methyl-6-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide

Systemtic Name: 4-[[1-methyl-6-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Openeye Name: 4-[[6-(4-isopropylphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide CAS Name: 4-[[1-methyl-6-(4-propan-2-ylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzamide IUPAC Name: 4-[[1-methyl-6-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Traditional Name: 4-[(1-methyl-6-p-cumenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=NN3C)C(=N2)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=NN3C)C(=N2)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H22N6O/c1-13(2)14-4-6-16(7-5-14)20-26-21(18-12-24-28(3)22(18)27-20)25-17-10-8-15(9-11-17)19(23)29/h4-13H,1-3H3,(H2,23,29)(H,25,26,27)