5-methyl-6-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-methyl-6-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-methyl-6-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-methyl-6-phenyl-4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-methyl-6-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-methyl-6-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]thieno[2,3-d]pyrimidine Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)CC[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H29N5S/c1-18-20-22(24-17-25-23(20)29-21(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+1