5-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: 5-[2-[(4-fluorophenyl)amino]pyrimidin-4-yl]-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-benzyl-5-[2-(4-fluoroanilino)pyrimidin-4-yl]thiophene-2-carboxamide CAS Name: 5-[2-(4-fluoroanilino)-4-pyrimidinyl]-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-benzyl-5-[2-(4-fluoroanilino)pyrimidin-4-yl]thiophene-2-carboxamide Traditional Name: N-benzyl-5-[2-(4-fluoroanilino)pyrimidin-4-yl]thiophene-2-carboxamide Formula: C22H17FN4OS MolecularWeight: 404.459983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4OS/c23-16-6-8-17(9-7-16)26-22-24-13-12-18(27-22)19-10-11-20(29-19)21(28)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,28)(H,24,26,27)