4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-anilino)-N-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-chloro-4-fluoroanilino)-N-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3-chloro-4-fluoroanilino)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-anilino)-N-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H21ClFN7OS MolecularWeight: 485.964843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)F)Cl)CC5=NC=CN5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)F)Cl)CC5=NC=CN5

InChI

InChI=1S/C22H21ClFN7OS/c23-16-9-14(1-2-17(16)24)29-20-15-10-18(33-22(15)28-12-27-20)21(32)30-13-3-7-31(8-4-13)11-19-25-5-6-26-19/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2,(H,25,26)(H,30,32)(H,27,28,29)