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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-[(4-phenoxyphenyl)amino]pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-phenoxyanilino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethyl-4-(4-phenoxyanilino)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-phenoxyanilino)pyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-4-(4-phenoxyanilino)-3-pyrroline-2,5-quinone Formula: C30H26N4O3S MolecularWeight: 522.61744

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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)NC4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C30H26N4O3S/c1-20-19-21(2)32-30(31-20)38-27-26(28(35)34(29(27)36)18-17-22-9-5-3-6-10-22)33-23-13-15-25(16-14-23)37-24-11-7-4-8-12-24/h3-16,19,33H,17-18H2,1-2H3