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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[ethyl-(3-methylphenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(N-ethyl-3-methyl-anilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(N-ethyl-3-methylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(N-ethyl-3-methylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(N-ethyl-3-methyl-anilino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-5-30(22-13-9-10-18(2)16-22)23-24(34-27-28-19(3)17-20(4)29-27)26(33)31(25(23)32)15-14-21-11-7-6-8-12-21/h6-13,16-17H,5,14-15H2,1-4H3