N-[3-[[5-cyclopropyl-2-[(2-fluorophenyl)amino]pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[5-cyclopropyl-2-[(2-fluorophenyl)amino]pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC=CC=C4F

Isomeric SMILES

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC=CC=C4F

InChI

InChI=1S/C21H22FN5OS/c22-16-5-1-2-6-17(16)26-21-25-13-15(14-8-9-14)19(27-21)23-10-4-11-24-20(28)18-7-3-12-29-18/h1-3,5-7,12-14H,4,8-11H2,(H,24,28)(H2,23,25,26,27)