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

Systemtic Name: N6-butyl-N4-(3,4-dimethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3,4-dimethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3,4-dimethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3,4-dimethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[4-(3,4-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6 MolecularWeight: 386.49274

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6/c1-4-5-13-24-23-27-21(26-18-12-11-16(2)17(3)14-18)20-15-25-29(22(20)28-23)19-9-7-6-8-10-19/h6-12,14-15H,4-5,13H2,1-3H3,(H2,24,26,27,28)