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

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-5-methyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H25BrN6OS MolecularWeight: 537.4746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN6OS/c1-15-12-18(26)13-16(2)21(15)30-24(33)22-17(3)20-23(28-14-29-25(20)34-22)32-10-8-31(9-11-32)19-6-4-5-7-27-19/h4-7,12-14H,8-11H2,1-3H3,(H,30,33)