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

Systemtic Name: N6-butyl-N4-(4-ethoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4-ethoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[1-phenyl-4-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O/c1-3-5-15-24-23-27-21(26-17-11-13-19(14-12-17)30-4-2)20-16-25-29(22(20)28-23)18-9-7-6-8-10-18/h6-14,16H,3-5,15H2,1-2H3,(H2,24,26,27,28)