4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine Formula: C18H20FN4S+ MolecularWeight: 343.441603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H19FN4S/c1-2-22-7-9-23(10-8-22)17-16-15(11-24-18(16)21-12-20-17)13-3-5-14(19)6-4-13/h3-6,11-12H,2,7-10H2,1H3/p+1