3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(2-methylphenyl)amino]-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(2-methylphenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-methylanilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-methylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-methylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(o-toluidino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C25H24N4O2S/c1-16-9-7-8-12-20(16)28-21-22(32-25-26-17(2)15-18(3)27-25)24(31)29(23(21)30)14-13-19-10-5-4-6-11-19/h4-12,15,28H,13-14H2,1-3H3