N-(2,6-dimethylphenyl)propanamide; 5-ethyl-3-(4-fluorophenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione

Systemtic Name: N-(2,6-dimethylphenyl)propanamide; 5-ethyl-3-(4-fluorophenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione Openeye Name: N-(2,6-dimethylphenyl)propanamide; 5-ethyl-3-(4-fluorophenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione CAS Name: N-(2,6-dimethylphenyl)propanamide; 5-ethyl-3-(4-fluorophenyl)-2-mercapto-1H-pyrimidin-3-ium-4,6-dione IUPAC Name: N-(2,6-dimethylphenyl)propanamide; 5-ethyl-3-(4-fluorophenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione Traditional Name: N-(2,6-dimethylphenyl)propionamide; 5-ethyl-3-(4-fluorophenyl)-2-mercapto-1H-pyrimidin-3-ium-4,6-quinone Formula: C23H27FN3O3S+ MolecularWeight: 444.542183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC(=[N+](C1=O)C2=CC=C(C=C2)F)S.CCC(=O)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCC1C(=O)NC(=[N+](C1=O)C2=CC=C(C=C2)F)S.CCC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C12H11FN2O2S.C11H15NO/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-7(13)4-6-8;1-4-10(13)12-11-8(2)6-5-7-9(11)3/h3-6,9H,2H2,1H3,(H,14,16,18);5-7H,4H2,1-3H3,(H,12,13)/p+1