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

Systemtic Name: 3-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-N-methyl-benzamide Formula: C20H18ClN7O MolecularWeight: 407.85622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN7O/c1-22-20(29)13-5-2-4-12(8-13)10-23-18-16-17(24-11-25-19(16)28-27-18)26-15-7-3-6-14(21)9-15/h2-9,11H,10H2,1H3,(H,22,29)(H3,23,24,25,26,27,28)