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

Systemtic Name: N6-cycloheptyl-N4-(3,5-dimethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cycloheptyl-N4-(3,5-dimethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-(3,5-dimethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cycloheptyl-4-N-(3,5-dimethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cycloheptyl-[4-(3,5-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C26H30N6 MolecularWeight: 426.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5CCCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5CCCCCC5)C

InChI

InChI=1S/C26H30N6/c1-18-14-19(2)16-21(15-18)28-24-23-17-27-32(22-12-8-5-9-13-22)25(23)31-26(30-24)29-20-10-6-3-4-7-11-20/h5,8-9,12-17,20H,3-4,6-7,10-11H2,1-2H3,(H2,28,29,30,31)