4-[4-(1H-benzimidazol-3-ium-2-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1H-benzimidazol-3-ium-2-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1H-benzimidazol-3-ium-2-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1H-benzimidazol-3-ium-2-ylmethyl)-1-piperazin-4-iumyl]-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1H-benzimidazol-3-ium-2-ylmethyl)piperazin-4-ium-1-yl]-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(1H-benzimidazol-3-ium-2-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Formula: C20H24N6S+2 MolecularWeight: 380.50976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=[NH+]C5=CC=CC=C5N4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=[NH+]C5=CC=CC=C5N4

InChI

InChI=1S/C20H22N6S/c1-2-14-11-15-19(21-13-22-20(15)27-14)26-9-7-25(8-10-26)12-18-23-16-5-3-4-6-17(16)24-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,24)/p+2