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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22ClFN5OS+ MolecularWeight: 434.937983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN5OS/c1-3-26-6-8-27(9-7-26)18-16-12(2)17(29-20(16)24-11-23-18)19(28)25-13-4-5-15(22)14(21)10-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,25,28)/p+1