7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-(3-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 7-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-2-(3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 7-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-2-(3-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C17H22N7+ MolecularWeight: 324.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC3=NC(=NN23)C4=CN=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC3=NC(=NN23)C4=CN=CC=C4)C

InChI

InChI=1S/C17H21N7/c1-3-22-7-9-23(10-8-22)15-11-13(2)19-17-20-16(21-24(15)17)14-5-4-6-18-12-14/h4-6,11-12H,3,7-10H2,1-2H3/p+1