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

Systemtic Name: 2-methyl-5-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-5-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 2-methyl-5-phenyl-4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-5-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 2-methyl-5-phenyl-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=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC[NH+]5CCCC5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC[NH+]5CCCC5

InChI

InChI=1S/C23H29N5S/c1-18-24-22(21-20(17-29-23(21)25-18)19-7-3-2-4-8-19)28-15-13-27(14-16-28)12-11-26-9-5-6-10-26/h2-4,7-8,17H,5-6,9-16H2,1H3/p+2