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

Systemtic Name: N6-cycloheptyl-N4-(4-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cycloheptyl-1-phenyl-N4-(p-tolyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cycloheptyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cycloheptyl-[1-phenyl-4-(p-toluidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C25H28N6 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6/c1-18-13-15-20(16-14-18)27-23-22-17-26-31(21-11-7-4-8-12-21)24(22)30-25(29-23)28-19-9-5-2-3-6-10-19/h4,7-8,11-17,19H,2-3,5-6,9-10H2,1H3,(H2,27,28,29,30)