5-(4-bromophenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-bromophenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 5-(4-bromophenyl)-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5-(4-bromophenyl)-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-bromophenyl)-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 5-(4-bromophenyl)-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C22H21BrN5S+ MolecularWeight: 467.40464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H20BrN5S/c23-18-5-3-17(4-6-18)19-14-29-22-20(19)21(25-15-26-22)28-10-8-27(9-11-28)13-16-2-1-7-24-12-16/h1-7,12,14-15H,8-11,13H2/p+1