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

Systemtic Name: N-[3-[[5-cyclopropyl-2-[(4-fluorophenyl)amino]pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[[5-cyclopropyl-2-(4-fluoroanilino)-4-pyrimidinyl]amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[[5-cyclopropyl-2-(4-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=C(C=C4)F

Isomeric SMILES

C1CC1C2=CN=C(N=C2NCCCNC(=O)C3=CC=CS3)NC4=CC=C(C=C4)F

InChI

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