tert-butyl 3-azanyl-3-pyrimidin-5-yl-propanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: tert-butyl 3-azanyl-3-pyrimidin-5-yl-propanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: tert-butyl 3-amino-3-pyrimidin-5-yl-propanoate; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-3-(5-pyrimidinyl)propanoic acid tert-butyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: tert-butyl 3-amino-3-pyrimidin-5-ylpropanoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-3-(5-pyrimidyl)propionic acid tert-butyl ester; 2,2,2-trifluoroacetic acid Formula: C13H18F3N3O4 MolecularWeight: 337.29493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CN=CN=C1)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CN=CN=C1)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H17N3O2.C2HF3O2/c1-11(2,3)16-10(15)4-9(12)8-5-13-7-14-6-8;3-2(4,5)1(6)7/h5-7,9H,4,12H2,1-3H3;(H,6,7)