N4-(3,5-dimethylphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-1-phenyl-N6-propyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-1-phenyl-N6-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-1-phenyl-6-N-propylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3,5-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-propyl-amine Formula: C22H24N6 MolecularWeight: 372.46616

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C22H24N6/c1-4-10-23-22-26-20(25-17-12-15(2)11-16(3)13-17)19-14-24-28(21(19)27-22)18-8-6-5-7-9-18/h5-9,11-14H,4,10H2,1-3H3,(H2,23,25,26,27)