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

Systemtic Name: N6-cycloheptyl-N4-(3-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cycloheptyl-N4-(m-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cycloheptyl-4-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cycloheptyl-[4-(m-toluidino)-1-phenyl-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(=CC=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5CCCCCC5

Isomeric SMILES

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

InChI

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