3-phenyl-4-[2-[3,3,3-tris(fluoranyl)propylamino]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 3-phenyl-4-[2-[3,3,3-tris(fluoranyl)propylamino]pyrimidin-4-yl]piperazin-2-one Openeye Name: 3-phenyl-4-[2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]piperazin-2-one CAS Name: 3-phenyl-4-[2-(3,3,3-trifluoropropylamino)-4-pyrimidinyl]-2-piperazinone IUPAC Name: 3-phenyl-4-[2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]piperazin-2-one Traditional Name: 3-phenyl-4-[2-(3,3,3-trifluoropropylamino)pyrimidin-4-yl]piperazin-2-one Formula: C17H18F3N5O MolecularWeight: 365.35293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NCCC(F)(F)F

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NCCC(F)(F)F

InChI

InChI=1S/C17H18F3N5O/c18-17(19,20)7-9-23-16-22-8-6-13(24-16)25-11-10-21-15(26)14(25)12-4-2-1-3-5-12/h1-6,8,14H,7,9-11H2,(H,21,26)(H,22,23,24)