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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-N-(4-fluorophenyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H23FN5OS+ MolecularWeight: 400.492923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C20H22FN5OS/c1-3-25-8-10-26(11-9-25)18-16-13(2)17(28-20(16)23-12-22-18)19(27)24-15-6-4-14(21)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,24,27)/p+1