5-(4-methylphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-methylphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-(p-tolyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-(p-tolyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C23H31N5S+2 MolecularWeight: 409.59074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC[NH+]5CCCC5

InChI

InChI=1S/C23H29N5S/c1-18-4-6-19(7-5-18)20-16-29-23-21(20)22(24-17-25-23)28-14-12-27(13-15-28)11-10-26-8-2-3-9-26/h4-7,16-17H,2-3,8-15H2,1H3/p+2