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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H23N6+ MolecularWeight: 323.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6/c1-2-22-8-10-23(11-9-22)17-16-12-21-24(18(16)20-14-19-17)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3/p+1