1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine

Systemtic Name: 1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine Openeye Name: 1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine CAS Name: 1,3-dimethyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[4,3-d]pyrimidine IUPAC Name: 1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine Traditional Name: 1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[4,3-d]pyrimidine Formula: C16H20N7+ MolecularWeight: 310.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN=C2N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=NN(C2=C1N=CN=C2N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C16H19N7/c1-12-14-15(21(2)20-12)16(19-11-18-14)23-9-7-22(8-10-23)13-5-3-4-6-17-13/h3-6,11H,7-10H2,1-2H3/p+1