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

Systemtic Name: 6-ethyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 6-ethyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-4-[4-(2-pyrimidinyl)-1-piperazine-1,4-diiumyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-ethyl-4-(4-pyrimidin-2-ylpiperazine-1,4-diium-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 6-ethyl-4-[4-(2-pyrimidyl)piperazine-1,4-diium-1-yl]thieno[2,3-d]pyrimidine Formula: C16H20N6S+2 MolecularWeight: 328.4352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6S/c1-2-12-10-13-14(19-11-20-15(13)23-12)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10-11H,2,6-9H2,1H3/p+2