1-(6-methylpyridazin-3-yl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(6-methylpyridazin-3-yl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(6-methylpyridazin-3-yl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(6-methyl-3-pyridazinyl)-4-(1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(6-methylpyridazin-3-yl)-4-piperazin-4-ium-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(6-methylpyridazin-3-yl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine Formula: C14H17N8+ MolecularWeight: 297.33838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH2+]CC4

Isomeric SMILES

CC1=NN=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH2+]CC4

InChI

InChI=1S/C14H16N8/c1-10-2-3-12(20-19-10)22-14-11(8-18-22)13(16-9-17-14)21-6-4-15-5-7-21/h2-3,8-9,15H,4-7H2,1H3/p+1