1-(4-oxidanylidenequinazolin-3-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea

Systemtic Name: 1-(4-oxidanylidenequinazolin-3-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea Openeye Name: 1-(4-oxoquinazolin-3-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea CAS Name: 1-(4-oxo-3-quinazolinyl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea IUPAC Name: 1-(4-oxoquinazolin-3-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea Traditional Name: 1-(4-ketoquinazolin-3-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea Formula: C16H11F3N4O3S MolecularWeight: 396.34375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)NC3=CC=C(C=C3)S(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)NC(=O)NC3=CC=C(C=C3)S(=O)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O3S/c17-16(18,19)27(26)11-7-5-10(6-8-11)21-15(25)22-23-9-20-13-4-2-1-3-12(13)14(23)24/h1-9H,(H2,21,22,25)