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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-hydroxy-5-methyl-anilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-hydroxy-5-methylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-hydroxy-5-methylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(2-hydroxy-5-methyl-anilino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C25H24N4O3S/c1-15-9-10-20(30)19(13-15)28-21-22(33-25-26-16(2)14-17(3)27-25)24(32)29(23(21)31)12-11-18-7-5-4-6-8-18/h4-10,13-14,28,30H,11-12H2,1-3H3