5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine

Systemtic Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine Openeye Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]imidazo[2,1-b]thiazol-6-amine CAS Name: 5-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-6-imidazo[2,1-b]thiazolamine IUPAC Name: 5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]imidazo[2,1-b][1,3]thiazol-6-amine Traditional Name: (5-nitroimidazo[2,1-b]thiazol-6-yl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C16H21N8O2S+ MolecularWeight: 389.45534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(N3C=CSC3=N2)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(N3C=CSC3=N2)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C16H20N8O2S/c25-24(26)14-13(20-16-23(14)11-12-27-16)17-5-2-6-21-7-9-22(10-8-21)15-18-3-1-4-19-15/h1,3-4,11-12,17H,2,5-10H2/p+1