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

Systemtic Name: N6-cycloheptyl-N4-(3-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-cycloheptyl-N4-(3-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-(3-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-cycloheptyl-4-N-(3-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: cycloheptyl-[4-(m-anisidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C25H28N6O MolecularWeight: 428.52942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5CCCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5CCCCCC5

InChI

InChI=1S/C25H28N6O/c1-32-21-15-9-12-19(16-21)27-23-22-17-26-31(20-13-7-4-8-14-20)24(22)30-25(29-23)28-18-10-5-2-3-6-11-18/h4,7-9,12-18H,2-3,5-6,10-11H2,1H3,(H2,27,28,29,30)