3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(phenethylamino)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(phenethylamino)pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(phenethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluorophenyl)-4-(phenethylamino)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(phenethylamino)pyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(2-fluorophenyl)-4-(phenethylamino)-3-pyrroline-2,5-quinone Formula: C24H21FN4O2S MolecularWeight: 448.512543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C24H21FN4O2S/c1-15-14-16(2)28-24(27-15)32-21-20(26-13-12-17-8-4-3-5-9-17)22(30)29(23(21)31)19-11-7-6-10-18(19)25/h3-11,14,26H,12-13H2,1-2H3