6-methyl-4-octan-3-yl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 6-methyl-4-octan-3-yl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(1-ethylhexyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 6-methyl-4-octan-3-yl-2-quinazolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 6-methyl-4-octan-3-ylquinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(1-ethylhexyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C24H28F9N3O7 MolecularWeight: 641.480649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=NC(=NC2=C1C=C(C=C2)C)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCCC(CC)C1=NC(=NC2=C1C=C(C=C2)C)C(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H25N3O.3C2HF3O2/c1-4-6-7-8-13(5-2)16-14-11-12(3)9-10-15(14)20-18(21-16)17(19)22;3*3-2(4,5)1(6)7/h9-11,13H,4-8H2,1-3H3,(H2,19,22);3*(H,6,7)