3-[4-azanyl-1,1,1-tris(fluoranyl)butan-2-yl]quinazolin-4-one

Systemtic Name: 3-[4-azanyl-1,1,1-tris(fluoranyl)butan-2-yl]quinazolin-4-one Openeye Name: 3-[3-amino-1-(trifluoromethyl)propyl]quinazolin-4-one CAS Name: 3-(4-amino-1,1,1-trifluorobutan-2-yl)-4-quinazolinone IUPAC Name: 3-(4-amino-1,1,1-trifluorobutan-2-yl)quinazolin-4-one Traditional Name: 3-[3-amino-1-(trifluoromethyl)propyl]quinazolin-4-one Formula: C12H12F3N3O MolecularWeight: 271.23839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)C(CCN)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)C(CCN)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O/c13-12(14,15)10(5-6-16)18-7-17-9-4-2-1-3-8(9)11(18)19/h1-4,7,10H,5-6,16H2