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

Systemtic Name: 5-phenyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-phenyl-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-phenyl-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-phenyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-phenyl-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C26H24N5S+ MolecularWeight: 438.56726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=C5C(=CSC5=NC=N4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=C5C(=CSC5=NC=N4)C6=CC=CC=C6

InChI

InChI=1S/C26H23N5S/c1-2-6-19(7-3-1)22-17-32-26-23(22)25(28-18-29-26)31-14-12-30(13-15-31)16-21-9-4-8-20-10-5-11-27-24(20)21/h1-11,17-18H,12-16H2/p+1