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

Systemtic Name: N-(2-dimethylaminoethyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(2-dimethylaminoethyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-(2-dimethylaminoethyl)-6-methyl-2-quinazolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(2-dimethylaminoethyl)-6-methylquinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(2-dimethylaminoethyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C20H21F9N4O7 MolecularWeight: 600.388969

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H18N4O.3C2HF3O2/c1-10-4-5-12-11(8-10)9-16-13(17-12)14(19)15-6-7-18(2)3;3*3-2(4,5)1(6)7/h4-5,8-9H,6-7H2,1-3H3,(H,15,19);3*(H,6,7)