5-(propylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(propylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(propylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(propylamino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(propylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(propylamino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C14H22N7S2+ MolecularWeight: 352.50138

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H21N7S2/c1-2-4-17-13-18-21(14(22)23-13)11-19-7-9-20(10-8-19)12-15-5-3-6-16-12/h3,5-6H,2,4,7-11H2,1H3,(H,17,18)/p+1