6-methyl-N-pentyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 6-methyl-N-pentyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 6-methyl-N-pentyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 6-methyl-N-pentyl-2-quinazolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 6-methyl-N-pentylquinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-amyl-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C19H21F6N3O5 MolecularWeight: 485.377559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=NC=C2C=C(C=CC2=N1)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCCNC(=O)C1=NC=C2C=C(C=CC2=N1)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H19N3O.2C2HF3O2/c1-3-4-5-8-16-15(19)14-17-10-12-9-11(2)6-7-13(12)18-14;2*3-2(4,5)1(6)7/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,19);2*(H,6,7)