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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-cycloheptyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-cycloheptyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-cycloheptyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-cycloheptyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(cycloheptylamino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCCC(CC1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N6O2/c1-2-5-9-17(8-4-1)28-25-29-23(27-18-12-13-21-22(14-18)33-16-32-21)20-15-26-31(24(20)30-25)19-10-6-3-7-11-19/h3,6-7,10-15,17H,1-2,4-5,8-9,16H2,(H2,27,28,29,30)