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

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C26H27BrN6OS MolecularWeight: 551.50118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C)C)Br

InChI

InChI=1S/C26H27BrN6OS/c1-15-13-19(27)14-16(2)22(15)31-25(34)23-17(3)21-24(29-18(4)30-26(21)35-23)33-11-9-32(10-12-33)20-7-5-6-8-28-20/h5-8,13-14H,9-12H2,1-4H3,(H,31,34)