4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C15H16BrN4S2+ MolecularWeight: 396.34834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C15H15BrN4S2/c16-13-2-1-11(22-13)9-19-4-6-20(7-5-19)14-12-3-8-21-15(12)18-10-17-14/h1-3,8,10H,4-7,9H2/p+1