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

Systemtic Name: N4-(3,5-dimethylphenyl)-N6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-N6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-N6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-N-ethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3,5-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-ethyl-amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C21H22N6/c1-4-22-21-25-19(24-16-11-14(2)10-15(3)12-16)18-13-23-27(20(18)26-21)17-8-6-5-7-9-17/h5-13H,4H2,1-3H3,(H2,22,24,25,26)