4-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[[4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]methyl]-2,6-dimethoxy-phenol Formula: C20H19ClN6O3 MolecularWeight: 426.85626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H19ClN6O3/c1-29-14-6-11(7-15(30-2)17(14)28)9-22-19-16-18(23-10-24-20(16)27-26-19)25-13-5-3-4-12(21)8-13/h3-8,10,28H,9H2,1-2H3,(H3,22,23,24,25,26,27)