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

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C17H18FN4S+ MolecularWeight: 329.415023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C17H17FN4S/c18-15-4-2-1-3-13(15)11-21-6-8-22(9-7-21)16-14-5-10-23-17(14)20-12-19-16/h1-5,10,12H,6-9,11H2/p+1