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

Systemtic Name: 3-(azepan-1-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(2-fluorophenyl)-3-pyrroline-2,5-quinone Formula: C22H23FN4O2S MolecularWeight: 426.507023

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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)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)N4CCCCCC4)C

InChI

InChI=1S/C22H23FN4O2S/c1-14-13-15(2)25-22(24-14)30-19-18(26-11-7-3-4-8-12-26)20(28)27(21(19)29)17-10-6-5-9-16(17)23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3