1-(5-azanyl-2-chloranyl-4-fluoranyl-phenyl)-3-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-(5-azanyl-2-chloranyl-4-fluoranyl-phenyl)-3-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-(5-amino-2-chloro-4-fluoro-phenyl)-3-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-(5-amino-2-chloro-4-fluorophenyl)-3-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-(5-amino-2-chloro-4-fluorophenyl)-3-prop-2-ynyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-(5-amino-2-chloro-4-fluoro-phenyl)-3-propargyl-isocyanuric acid Formula: C12H8ClFN4O3 MolecularWeight: 310.668323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2Cl)F)N

Isomeric SMILES

C#CCN1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2Cl)F)N

InChI

InChI=1S/C12H8ClFN4O3/c1-2-3-17-10(19)16-11(20)18(12(17)21)9-5-8(15)7(14)4-6(9)13/h1,4-5H,3,15H2,(H,16,19,20)