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

Systemtic Name: 1-(3-chlorophenyl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chlorophenyl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-(1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-piperazin-4-ium-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chlorophenyl)-4-piperazin-4-ium-1-yl-pyrazolo[3,4-d]pyrimidine Formula: C15H16ClN6+ MolecularWeight: 315.78074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C15H15ClN6/c16-11-2-1-3-12(8-11)22-15-13(9-20-22)14(18-10-19-15)21-6-4-17-5-7-21/h1-3,8-10,17H,4-7H2/p+1