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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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