6-(4-methoxyphenyl)-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine

Systemtic Name: 6-(4-methoxyphenyl)-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine Openeye Name: 6-(4-methoxyphenyl)-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine CAS Name: 6-(4-methoxyphenyl)-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]thieno[3,2-d]pyrimidine IUPAC Name: 6-(4-methoxyphenyl)-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine Traditional Name: 6-(4-methoxyphenyl)-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine Formula: C27H26N5OS+ MolecularWeight: 468.59324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)N4CC[NH+](CC4)CC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)N4CC[NH+](CC4)CC5=CC=CC6=C5N=CC=C6

InChI

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