6-ethyl-4-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride

Systemtic Name: 6-ethyl-4-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride Openeye Name: 6-ethyl-4-[4-(2-pyridyl)piperazine-1,4-diium-1-yl]thieno[2,3-d]pyrimidine dichloride CAS Name: 6-ethyl-4-[4-(2-pyridinyl)-1-piperazine-1,4-diiumyl]thieno[2,3-d]pyrimidine dichloride IUPAC Name: 6-ethyl-4-(4-pyridin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride Traditional Name: 6-ethyl-4-[4-(2-pyridyl)piperazine-1,4-diium-1-yl]thieno[2,3-d]pyrimidine dichloride Formula: C17H21Cl2N5S MolecularWeight: 398.35314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)[NH+]3CC[NH+](CC3)C4=CC=CC=N4.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)[NH+]3CC[NH+](CC3)C4=CC=CC=N4.[Cl-].[Cl-]

InChI

InChI=1S/C17H19N5S.2ClH/c1-2-13-11-14-16(19-12-20-17(14)23-13)22-9-7-21(8-10-22)15-5-3-4-6-18-15;;/h3-6,11-12H,2,7-10H2,1H3;2*1H