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

Systemtic Name: 5-ethyl-1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine Openeye Name: 5-ethyl-1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine CAS Name: 5-ethyl-1,3-dimethyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[4,3-d]pyrimidine IUPAC Name: 5-ethyl-1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidine Traditional Name: 5-ethyl-1,3-dimethyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[4,3-d]pyrimidine Formula: C18H24N7+ MolecularWeight: 338.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCN(CC3)C4=CC=CC=[NH+]4)N(N=C2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCN(CC3)C4=CC=CC=[NH+]4)N(N=C2C)C

InChI

InChI=1S/C18H23N7/c1-4-14-20-16-13(2)22-23(3)17(16)18(21-14)25-11-9-24(10-12-25)15-7-5-6-8-19-15/h5-8H,4,9-12H2,1-3H3/p+1