N,4-dimethyl-3-[[6-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N,4-dimethyl-3-[[6-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Openeye Name: N,4-dimethyl-3-[[6-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide CAS Name: N,4-dimethyl-3-[[6-(methylamino)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzamide IUPAC Name: N,4-dimethyl-3-[[6-(methylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Traditional Name: N,4-dimethyl-3-[[6-(methylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC

InChI

InChI=1S/C21H21N7O/c1-13-9-10-14(20(29)22-2)11-17(13)25-18-16-12-24-28(15-7-5-4-6-8-15)19(16)27-21(23-3)26-18/h4-12H,1-3H3,(H,22,29)(H2,23,25,26,27)