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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-methyl-4-(2-methyl-1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-5-methyl-4-(2-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-5-methyl-4-(2-methylpiperidino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H20ClFN4OS MolecularWeight: 418.915403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C20H20ClFN4OS/c1-11-5-3-4-8-26(11)18-16-12(2)17(28-20(16)24-10-23-18)19(27)25-13-6-7-15(22)14(21)9-13/h6-7,9-11H,3-5,8H2,1-2H3,(H,25,27)