N-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-[(3-amino-4-oxo-quinazolin-2-yl)sulfanylmethyl]-2,2,2-trifluoro-acetamide CAS Name: N-[[(3-amino-4-oxo-2-quinazolinyl)thio]methyl]-2,2,2-trifluoroacetamide IUPAC Name: N-[(3-amino-4-oxoquinazolin-2-yl)sulfanylmethyl]-2,2,2-trifluoroacetamide Traditional Name: N-[[(3-amino-4-keto-quinazolin-2-yl)thio]methyl]-2,2,2-trifluoro-acetamide Formula: C11H9F3N4O2S MolecularWeight: 318.27497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3N4O2S/c12-11(13,14)9(20)16-5-21-10-17-7-4-2-1-3-6(7)8(19)18(10)15/h1-4H,5,15H2,(H,16,20)