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

Systemtic Name: 5-(3-ethoxypropylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-ethoxypropylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-ethoxypropylamino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-ethoxypropylamino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-ethoxypropylamino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C16H26N7OS2+ MolecularWeight: 396.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H25N7OS2/c1-2-24-12-4-7-19-15-20-23(16(25)26-15)13-21-8-10-22(11-9-21)14-17-5-3-6-18-14/h3,5-6H,2,4,7-13H2,1H3,(H,19,20)/p+1