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

Systemtic Name: 3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-(cyclohexylamino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(cyclohexylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-(cyclohexylamino)-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)NC4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)NC4CCCCC4)C

InChI

InChI=1S/C22H23FN4O2S/c1-13-12-14(2)25-22(24-13)30-19-18(26-15-8-4-3-5-9-15)20(28)27(21(19)29)17-11-7-6-10-16(17)23/h6-7,10-12,15,26H,3-5,8-9H2,1-2H3