N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-bromanyl-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-bromanyl-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6-bromo-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-[(3S)-1,1-diketothiolan-3-yl]amine Formula: C13H11BrF3N3O2S MolecularWeight: 410.20955

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C13H11BrF3N3O2S/c14-7-1-2-10-9(5-7)11(20-12(19-10)13(15,16)17)18-8-3-4-23(21,22)6-8/h1-2,5,8H,3-4,6H2,(H,18,19,20)/t8-/m0/s1