2-azanyl-3-methyl-6-phenethyl-5-phenyl-pyrimidin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-3-methyl-6-phenethyl-5-phenyl-pyrimidin-4-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-3-methyl-6-phenethyl-5-phenyl-pyrimidin-4-one; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-3-methyl-6-phenethyl-5-phenyl-4-pyrimidinone; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-3-methyl-6-phenethyl-5-phenylpyrimidin-4-one; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-3-methyl-6-phenethyl-5-phenyl-pyrimidin-4-one; 2,2,2-trifluoroacetic acid Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1N)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C(=O)C(=C(N=C1N)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H19N3O.C2HF3O2/c1-22-18(23)17(15-10-6-3-7-11-15)16(21-19(22)20)13-12-14-8-4-2-5-9-14;3-2(4,5)1(6)7/h2-11H,12-13H2,1H3,(H2,20,21);(H,6,7)