3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(1-phenylethylamino)pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O2S/c1-17-16-18(2)28-26(27-17)33-23-22(29-19(3)21-12-8-5-9-13-21)24(31)30(25(23)32)15-14-20-10-6-4-7-11-20/h4-13,16,19,29H,14-15H2,1-3H3