N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetimidate Formula: C14H19N7OS MolecularWeight: 333.41196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C3=NC=CC=N3)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C3=NC=CC=N3)[O-]

InChI

InChI=1S/C14H19N7OS/c1-2-12-18-19-14(23-12)17-11(22)10-20-6-8-21(9-7-20)13-15-4-3-5-16-13/h3-5H,2,6-10H2,1H3,(H,17,19,22)