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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-keto-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H26BrN6O3S+ MolecularWeight: 582.49204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C)Br

InChI

InChI=1S/C26H25BrN6O3S/c1-16-6-7-19(18(27)13-16)30-24(35)23-17(2)22-25(37-23)29-15-33(26(22)36)14-21(34)32-11-9-31(10-12-32)20-5-3-4-8-28-20/h3-8,13,15H,9-12,14H2,1-2H3,(H,30,35)/p+1