Chem
J-GLOBAL ID：200907095049777117   Nikkaji number：J2.776.757E

6-[2,4-Bis(trifluoromethyl)-6-methoxypyrimidine-5-yl]-4-propargyl-4H-1,4-benzooxazine-3(2H)-one

6-[2,4-ビス(トリフルオロメチル)-6-メトキシピリミジン-5-イル]-4-プロパルギル-4H-1,4-ベンゾオキサジン-3(2H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H11F6N3O3
Molecular formula furigana： C18-H11-F6-N3-O3
Molecular weight： 431.294
InChI： InChI=1S/C18H11F6N3O3/c1-3-6-27-10-7-9(4-5-11(10)30-8-12(27)28)13-14(17(19,20)21)25-16(18(22,23)24)26-15(13)29-2/h1,4-5,7H,6,8H2,2H3
InChI key： OBKMJMKXIBDRFA-UHFFFAOYSA-N
SMILES： COc1nc(nc(c1c1ccc2OCC(=O)N(CC#C)c2c1)C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • 6-[2,4-ビス(トリフルオロメチル)-6-メトキシピリミジン-5-イル]-4-プロパルギル-4H-1,4-ベンゾオキサジン-3(2H)-オン
  • 6-[4-メトキシ-2,6-ビス(トリフルオロメチル)ピリミジン-5-イル]-4-(プロパ-2-イン-1-イル)-3,4-ジヒドロ-2H-1,4-ベンゾオキサジン-3-オン
  • 6-[4-methoxy-2,6-bis(trifluoromethyl)pyrimidin-5-yl]-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Other name (1)：
  • 6-[2,4-Bis(trifluoromethyl)-6-methoxypyrimidine-5-yl]-4-propargyl-4H-1,4-benzooxazine-3(2H)-one
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