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

Systemtic Name: 5-(propan-2-ylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(isopropylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(propan-2-ylamino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(propan-2-ylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isopropylamino)-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:

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

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