N-(1-tert-butyl-3-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-4-methyl-benzamide

Systemtic Name: N-(1-tert-butyl-3-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-4-methyl-benzamide Openeye Name: N-(1-tert-butyl-3-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-4-methyl-benzamide CAS Name: N-(1-tert-butyl-3-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-4-methylbenzamide IUPAC Name: N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methylbenzamide Traditional Name: N-(1-tert-butyl-3-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-4-methyl-benzamide Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2C(=NN3C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2C(=NN3C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O/c1-15-10-12-17(13-11-15)22(29)26-20-18-19(16-8-6-5-7-9-16)27-28(23(2,3)4)21(18)25-14-24-20/h5-14H,1-4H3,(H,24,25,26,29)