5-(4-methoxyphenyl)-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-methoxyphenyl)-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-(4-methoxyphenyl)-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-(4-methoxyphenyl)-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methoxyphenyl)-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-(4-methoxyphenyl)-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C27H26N5OS+ MolecularWeight: 468.59324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H25N5OS/c1-33-22-9-7-19(8-10-22)23-17-34-27-24(23)26(29-18-30-27)32-14-12-31(13-15-32)16-21-5-2-4-20-6-3-11-28-25(20)21/h2-11,17-18H,12-16H2,1H3/p+1