3-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N,N-dimethyl-benzamide

Systemtic Name: 3-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N,N-dimethyl-benzamide Openeye Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N,N-dimethyl-benzamide CAS Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N,N-dimethylbenzamide IUPAC Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N,N-dimethylbenzamide Traditional Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N,N-dimethyl-benzamide Formula: C21H20ClN7O MolecularWeight: 421.8828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN7O/c1-29(2)21(30)14-6-3-5-13(9-14)11-23-19-17-18(24-12-25-20(17)28-27-19)26-16-8-4-7-15(22)10-16/h3-10,12H,11H2,1-2H3,(H3,23,24,25,26,27,28)