3-[(6-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[(6-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[(6-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[(6-amino-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[(6-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-4-methyl-benzamide Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)N

InChI

InChI=1S/C22H21N7O/c1-13-7-8-14(21(30)25-15-9-10-15)11-18(13)26-19-17-12-24-29(16-5-3-2-4-6-16)20(17)28-22(23)27-19/h2-8,11-12,15H,9-10H2,1H3,(H,25,30)(H3,23,26,27,28)