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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2-fluorophenyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(2-fluorophenyl)-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C26H24FN5O2S MolecularWeight: 489.564463

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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)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3F)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H24FN5O2S/c1-17-16-18(2)29-26(28-17)35-23-22(24(33)32(25(23)34)21-11-7-6-10-20(21)27)31-14-12-30(13-15-31)19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3