1-(4,6-dimethylpyrimidin-2-yl)-1-phenyl-pyrrol-1-ium-2,5-dione

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-phenyl-pyrrol-1-ium-2,5-dione Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-phenyl-pyrrol-1-ium-2,5-dione CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-phenylpyrrol-1-ium-2,5-dione IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-phenylpyrrol-1-ium-2,5-dione Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-phenyl-3-pyrrolin-1-ium-2,5-quinone Formula: C16H14N3O2+ MolecularWeight: 280.30126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(C(=O)C=CC2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(C(=O)C=CC2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C16H14N3O2/c1-11-10-12(2)18-16(17-11)19(13-6-4-3-5-7-13)14(20)8-9-15(19)21/h3-10H,1-2H3/q+1