N-[1-(6-azanylpyrimidin-4-yl)azepan-4-yl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[1-(6-azanylpyrimidin-4-yl)azepan-4-yl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-[1-(6-aminopyrimidin-4-yl)azepan-4-yl]-2,2,2-trifluoro-acetamide CAS Name: N-[1-(6-amino-4-pyrimidinyl)-4-azepanyl]-2,2,2-trifluoroacetamide IUPAC Name: N-[1-(6-aminopyrimidin-4-yl)azepan-4-yl]-2,2,2-trifluoroacetamide Traditional Name: N-[1-(6-aminopyrimidin-4-yl)azepan-4-yl]-2,2,2-trifluoro-acetamide Formula: C12H16F3N5O MolecularWeight: 303.28355

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C2=CC(=NC=N2)N)NC(=O)C(F)(F)F

Isomeric SMILES

C1CC(CCN(C1)C2=CC(=NC=N2)N)NC(=O)C(F)(F)F

InChI

InChI=1S/C12H16F3N5O/c13-12(14,15)11(21)19-8-2-1-4-20(5-3-8)10-6-9(16)17-7-18-10/h6-8H,1-5H2,(H,19,21)(H2,16,17,18)