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

Systemtic Name: N4-(3,5-dimethylphenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-N6-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-N-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3,5-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-amine Formula: C27H26N6 MolecularWeight: 434.53554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC5=CC=CC=C5)C

InChI

InChI=1S/C27H26N6/c1-19-15-20(2)17-22(16-19)30-25-24-18-29-33(23-11-7-4-8-12-23)26(24)32-27(31-25)28-14-13-21-9-5-3-6-10-21/h3-12,15-18H,13-14H2,1-2H3,(H2,28,30,31,32)