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

Systemtic Name: 6-(4-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine Openeye Name: 6-(4-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine CAS Name: 6-(4-methoxyphenyl)-4-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]thieno[3,2-d]pyrimidine IUPAC Name: 6-(4-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine Traditional Name: 6-(4-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]thieno[3,2-d]pyrimidine Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)N4CCN(CC4)CC[NH+]5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)N4CCN(CC4)CC[NH+]5CCCC5

InChI

InChI=1S/C23H29N5OS/c1-29-19-6-4-18(5-7-19)21-16-20-22(30-21)23(25-17-24-20)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+1