N-(2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-fluorophenyl)-5-methyl-4-(4-propyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H25FN5OS+ MolecularWeight: 414.519503

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=CC=C4F)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=CC=C4F)C

InChI

InChI=1S/C21H24FN5OS/c1-3-8-26-9-11-27(12-10-26)19-17-14(2)18(29-21(17)24-13-23-19)20(28)25-16-7-5-4-6-15(16)22/h4-7,13H,3,8-12H2,1-2H3,(H,25,28)/p+1