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

Systemtic Name: 3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-(cycloheptylamino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-(cycloheptylamino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(2-fluorophenyl)-3-pyrroline-2,5-quinone Formula: C23H25FN4O2S MolecularWeight: 440.533603

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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)NC4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)NC4CCCCCC4)C

InChI

InChI=1S/C23H25FN4O2S/c1-14-13-15(2)26-23(25-14)31-20-19(27-16-9-5-3-4-6-10-16)21(29)28(22(20)30)18-12-8-7-11-17(18)24/h7-8,11-13,16,27H,3-6,9-10H2,1-2H3