2-[(6-chloranyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-3-methyl-benzamide

Systemtic Name: 2-[(6-chloranyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-3-methyl-benzamide Openeye Name: 2-[(6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-3-methyl-benzamide CAS Name: 2-[(6-chloro-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]-N-cyclopropyl-3-methylbenzamide IUPAC Name: 2-[(6-chloro-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-3-methylbenzamide Traditional Name: 2-[(6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-cyclopropyl-3-methyl-benzamide Formula: C22H19ClN6O MolecularWeight: 418.87886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl)C(=O)NC5CC5

Isomeric SMILES

CC1=CC=CC(=C1NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl)C(=O)NC5CC5

InChI

InChI=1S/C22H19ClN6O/c1-13-6-5-9-16(21(30)25-14-10-11-14)18(13)26-19-17-12-24-29(15-7-3-2-4-8-15)20(17)28-22(23)27-19/h2-9,12,14H,10-11H2,1H3,(H,25,30)(H,26,27,28)