8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]-1H-pteridin-8-ium-2,4-dione

Systemtic Name: 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]-1H-pteridin-8-ium-2,4-dione Openeye Name: 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]-1H-pteridin-8-ium-2,4-dione CAS Name: 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]-1H-pteridin-8-ium-2,4-dione IUPAC Name: 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]-1H-pteridin-8-ium-2,4-dione Traditional Name: 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]-1H-pteridin-8-ium-2,4-quinone Formula: C16H14F3N4O2+ MolecularWeight: 351.30317

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=NC(=C1)C3=CC=C(C=C3)C(F)(F)F)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC[N+]1=C2C(=NC(=C1)C3=CC=C(C=C3)C(F)(F)F)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C16H13F3N4O2/c1-3-23-8-11(9-4-6-10(7-5-9)16(17,18)19)20-12-13(23)21-15(25)22(2)14(12)24/h4-8H,3H2,1-2H3/p+1