1-azanyl-3-(4-but-3-yn-2-yl-7-fluoranyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-azanyl-3-(4-but-3-yn-2-yl-7-fluoranyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 1-amino-3-[7-fluoro-4-(1-methylprop-2-ynyl)-3-oxo-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-amino-3-(4-but-3-yn-2-yl-7-fluoro-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-amino-3-(4-but-3-yn-2-yl-7-fluoro-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 1-amino-3-[7-fluoro-3-keto-4-(1-methylprop-2-ynyl)-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C17H12F4N4O4 MolecularWeight: 412.295193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)N1C(=O)COC2=C1C=C(C(=C2)F)N3C(=O)C=C(N(C3=O)N)C(F)(F)F

Isomeric SMILES

CC(C#C)N1C(=O)COC2=C1C=C(C(=C2)F)N3C(=O)C=C(N(C3=O)N)C(F)(F)F

InChI

InChI=1S/C17H12F4N4O4/c1-3-8(2)23-11-5-10(9(18)4-12(11)29-7-15(23)27)24-14(26)6-13(17(19,20)21)25(22)16(24)28/h1,4-6,8H,7,22H2,2H3