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

Systemtic Name: N-[3-[[5-cyclopropyl-2-[(3-fluorophenyl)amino]pyrimidin-4-yl]amino]propyl]ethanamide Openeye Name: N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]acetamide CAS Name: N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)-4-pyrimidinyl]amino]propyl]acetamide IUPAC Name: N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]acetamide Traditional Name: N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]acetamide Formula: C18H22FN5O MolecularWeight: 343.398583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCNC1=NC(=NC=C1C2CC2)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)NCCCNC1=NC(=NC=C1C2CC2)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H22FN5O/c1-12(25)20-8-3-9-21-17-16(13-6-7-13)11-22-18(24-17)23-15-5-2-4-14(19)10-15/h2,4-5,10-11,13H,3,6-9H2,1H3,(H,20,25)(H2,21,22,23,24)