N4-(3-chlorophenyl)-N3-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N4-(3-chlorophenyl)-N3-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-(3-chlorophenyl)-N3-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-N3-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-(3-chlorophenyl)-3-N-[(3,5-dimethoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-(3,5-dimethoxybenzyl)amine Formula: C20H19ClN6O2 MolecularWeight: 410.85686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C20H19ClN6O2/c1-28-15-6-12(7-16(9-15)29-2)10-22-19-17-18(23-11-24-20(17)27-26-19)25-14-5-3-4-13(21)8-14/h3-9,11H,10H2,1-2H3,(H3,22,23,24,25,26,27)