1-methyl-3-(2-methyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(2-methyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-methyl-3-(2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-(3-keto-2-methyl-4-propargyl-1,4-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)CC#C

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)CC#C

InChI

InChI=1S/C18H14F3N3O4/c1-4-7-23-12-8-11(5-6-13(12)28-10(2)16(23)26)24-15(25)9-14(18(19,20)21)22(3)17(24)27/h1,5-6,8-10H,7H2,2-3H3