6-azanyl-3-propan-2-yl-2-(trifluoromethyl)-6H-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-propan-2-yl-2-(trifluoromethyl)-6H-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-isopropyl-2-(trifluoromethyl)-6H-quinazolin-3-ium-4-one CAS Name: 6-amino-3-propan-2-yl-2-(trifluoromethyl)-6H-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-propan-2-yl-2-(trifluoromethyl)-6H-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-isopropyl-2-(trifluoromethyl)-6H-quinazolin-3-ium-4-one Formula: C12H13F3N3O+ MolecularWeight: 272.24633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(N=C2C=CC(C=C2C1=O)N)C(F)(F)F

Isomeric SMILES

CC(C)[N+]1=C(N=C2C=CC(C=C2C1=O)N)C(F)(F)F

InChI

InChI=1S/C12H13F3N3O/c1-6(2)18-10(19)8-5-7(16)3-4-9(8)17-11(18)12(13,14)15/h3-7H,16H2,1-2H3/q+1