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

Systemtic Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazin-4-iumyl]-6-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-6-methylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-thieno[2,3-d]pyrimidine Formula: C19H21N6S+ MolecularWeight: 365.47524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C19H20N6S/c1-13-10-14-18(20-12-21-19(14)26-13)25-8-6-24(7-9-25)11-17-22-15-4-2-3-5-16(15)23-17/h2-5,10,12H,6-9,11H2,1H3,(H,22,23)/p+1