5-azanyl-2-(pyrazin-2-ylamino)-2-pyrrolidin-1-ylcarbonyl-pentanal; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-azanyl-2-(pyrazin-2-ylamino)-2-pyrrolidin-1-ylcarbonyl-pentanal; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-amino-2-(pyrazin-2-ylamino)-2-(pyrrolidine-1-carbonyl)pentanal; 2,2,2-trifluoroacetic acid CAS Name: 5-amino-2-[oxo(1-pyrrolidinyl)methyl]-2-(2-pyrazinylamino)pentanal; 2,2,2-trifluoroacetic acid IUPAC Name: 5-amino-2-(pyrazin-2-ylamino)-2-(pyrrolidine-1-carbonyl)pentanal; 2,2,2-trifluoroacetic acid Traditional Name: 5-amino-2-(pyrazin-2-ylamino)-2-(pyrrolidine-1-carbonyl)valeraldehyde; 2,2,2-trifluoroacetic acid Formula: C16H22F3N5O4 MolecularWeight: 405.37219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(CCCN)(C=O)NC2=NC=CN=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)C(=O)C(CCCN)(C=O)NC2=NC=CN=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H21N5O2.C2HF3O2/c15-5-3-4-14(11-20,13(21)19-8-1-2-9-19)18-12-10-16-6-7-17-12;3-2(4,5)1(6)7/h6-7,10-11H,1-5,8-9,15H2,(H,17,18);(H,6,7)