2-(prop-2-ynylamino)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-(prop-2-ynylamino)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-(prop-2-ynylamino)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-(prop-2-ynylamino)-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(prop-2-ynylamino)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-(propargylamino)-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C20H20F3N5O MolecularWeight: 403.40091

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC=C(C(=N1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C#CCNC1=NC=C(C(=N1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O/c1-2-9-24-19-26-13-16(17(27-19)28-10-3-4-11-28)18(29)25-12-14-5-7-15(8-6-14)20(21,22)23/h1,5-8,13H,3-4,9-12H2,(H,25,29)(H,24,26,27)