N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-chloranyl-benzamide

Systemtic Name: N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-chloranyl-benzamide Openeye Name: N-[1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-chloro-benzamide CAS Name: N-[1-tert-butyl-3-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2-chlorobenzamide IUPAC Name: N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-chlorobenzamide Traditional Name: N-[1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-chloro-benzamide Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)NC(=O)C4=CC=CC=C4Cl)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)NC(=O)C4=CC=CC=C4Cl)C(C)(C)C

InChI

InChI=1S/C23H22ClN5O/c1-14-9-11-15(12-10-14)19-18-20(27-22(30)16-7-5-6-8-17(16)24)25-13-26-21(18)29(28-19)23(2,3)4/h5-13H,1-4H3,(H,25,26,27,30)