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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[ethyl(phenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(N-ethylanilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(N-ethylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(N-ethylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(N-ethylanilino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2S/c1-4-29(21-13-9-6-10-14-21)22-23(33-26-27-18(2)17-19(3)28-26)25(32)30(24(22)31)16-15-20-11-7-5-8-12-20/h5-14,17H,4,15-16H2,1-3H3