5-phenyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride

Systemtic Name: 5-phenyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride Openeye Name: 5-phenyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride CAS Name: 5-phenyl-4-[4-(2-pyrimidinyl)-1-piperazine-1,4-diiumyl]thieno[2,3-d]pyrimidine dichloride IUPAC Name: 5-phenyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine dichloride Traditional Name: 5-phenyl-4-[4-(2-pyrimidyl)piperazine-1,4-diium-1-yl]thieno[2,3-d]pyrimidine dichloride Formula: C20H20Cl2N6S MolecularWeight: 447.384

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C5=NC=CC=N5.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C5=NC=CC=N5.[Cl-].[Cl-]

InChI

InChI=1S/C20H18N6S.2ClH/c1-2-5-15(6-3-1)16-13-27-19-17(16)18(23-14-24-19)25-9-11-26(12-10-25)20-21-7-4-8-22-20;;/h1-8,13-14H,9-12H2;2*1H