N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C13H18N7OS+ MolecularWeight: 320.39332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H17N7OS/c1-10-17-18-13(22-10)16-11(21)9-19-5-7-20(8-6-19)12-14-3-2-4-15-12/h2-4H,5-9H2,1H3,(H,16,18,21)/p+1