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

Systemtic Name: 6-phenyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 6-phenyl-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 6-phenyl-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-phenyl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 6-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=C(SC5=NC=N4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C4=C5C=C(SC5=NC=N4)C6=CC=CC=C6

InChI

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