N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

Systemtic Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Openeye Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide CAS Name: N-cyclopropyl-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzamide IUPAC Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Traditional Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H18N6O/c28-21(26-15-9-10-15)14-5-4-6-16(11-14)25-19-18-12-24-27(20(18)23-13-22-19)17-7-2-1-3-8-17/h1-8,11-13,15H,9-10H2,(H,26,28)(H,22,23,25)