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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H25BrN5OS+ MolecularWeight: 475.4251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5OS/c1-4-26-7-9-27(10-8-26)19-17-14(3)18(29-21(17)24-12-23-19)20(28)25-16-6-5-13(2)11-15(16)22/h5-6,11-12H,4,7-10H2,1-3H3,(H,25,28)/p+1