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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-5-methyl-4-(4-propyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-5-methyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H27FN5OS+ MolecularWeight: 428.546083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN5OS/c1-4-7-27-8-10-28(11-9-27)20-18-15(3)19(30-22(18)25-13-24-20)21(29)26-16-6-5-14(2)17(23)12-16/h5-6,12-13H,4,7-11H2,1-3H3,(H,26,29)/p+1