4-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C17H21N6+ MolecularWeight: 309.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C17H20N6/c1-21-7-9-22(10-8-21)16-15-11-20-23(17(15)19-13-18-16)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3/p+1