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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-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:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CC[NH+](CC4)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CC[NH+](CC4)C)C)F

InChI

InChI=1S/C21H24FN5OS/c1-12-5-6-15(11-16(12)22)25-20(28)18-13(2)17-19(23-14(3)24-21(17)29-18)27-9-7-26(4)8-10-27/h5-6,11H,7-10H2,1-4H3,(H,25,28)/p+1