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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H25FN6OS MolecularWeight: 476.569003

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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)N4CCN(CC4)C5=CC=CC=N5)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCN(CC4)C5=CC=CC=N5)C)F

InChI

InChI=1S/C25H25FN6OS/c1-15-7-8-18(14-19(15)26)30-24(33)22-16(2)21-23(28-17(3)29-25(21)34-22)32-12-10-31(11-13-32)20-6-4-5-9-27-20/h4-9,14H,10-13H2,1-3H3,(H,30,33)