N6-butyl-N4-(2,5-dimethoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(2,5-dimethoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2,5-dimethoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2,5-dimethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2,5-dimethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[4-(2,5-dimethoxyanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H26N6O2/c1-4-5-13-24-23-27-21(26-19-14-17(30-2)11-12-20(19)31-3)18-15-25-29(22(18)28-23)16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H2,24,26,27,28)