N-(3-imidazol-1-ylpropyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(3-imidazol-1-ylpropyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[3-(1-imidazolyl)propyl]-6-methyl-2-quinazolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-methylquinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(3-imidazol-1-ylpropyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C20H19F6N5O5 MolecularWeight: 523.385779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CN=C(N=C2C=C1)C(=O)NCCCN3C=CN=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC2=CN=C(N=C2C=C1)C(=O)NCCCN3C=CN=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H17N5O.2C2HF3O2/c1-12-3-4-14-13(9-12)10-19-15(20-14)16(22)18-5-2-7-21-8-6-17-11-21;2*3-2(4,5)1(6)7/h3-4,6,8-11H,2,5,7H2,1H3,(H,18,22);2*(H,6,7)