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

Systemtic Name: 3-(2-methyl-3-oxidanylidene-4-prop-1-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione Openeye Name: 3-(2-methyl-3-oxo-4-prop-1-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione CAS Name: 3-(2-methyl-3-oxo-4-prop-1-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione IUPAC Name: 3-(2-methyl-3-oxo-4-prop-1-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione Traditional Name: 3-(3-keto-2-methyl-4-prop-1-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)uracil Formula: C17H12F3N3O4 MolecularWeight: 379.29009

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C2=C(C=CC(=C2)N3C(=O)C=C(NC3=O)C(F)(F)F)OC(C1=O)C

Isomeric SMILES

CC#CN1C2=C(C=CC(=C2)N3C(=O)C=C(NC3=O)C(F)(F)F)OC(C1=O)C

InChI

InChI=1S/C17H12F3N3O4/c1-3-6-22-11-7-10(4-5-12(11)27-9(2)15(22)25)23-14(24)8-13(17(18,19)20)21-16(23)26/h4-5,7-9H,1-2H3,(H,21,26)