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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O2S/c1-18-17-19(2)29-26(28-18)33-23-22(27-15-13-20-9-5-3-6-10-20)24(31)30(25(23)32)16-14-21-11-7-4-8-12-21/h3-12,17,27H,13-16H2,1-2H3