N6-(1-adamantyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(1-adamantyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(1-adamantyl)-N4-benzyl-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(1-adamantyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1-adamantyl)-4-N-benzyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[4-(benzylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H28N6 MolecularWeight: 388.50862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC34CC5CC(C3)CC(C5)C4)NCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC34CC5CC(C3)CC(C5)C4)NCC6=CC=CC=C6

InChI

InChI=1S/C23H28N6/c1-29-21-19(14-25-29)20(24-13-15-5-3-2-4-6-15)26-22(27-21)28-23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,14,16-18H,7-13H2,1H3,(H2,24,26,27,28)