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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(2-methoxy-5-methyl-phenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-methoxy-5-methyl-anilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-methoxy-5-methylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-methoxy-5-methylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(2-methoxy-5-methyl-anilino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H26N4O3S MolecularWeight: 474.57464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H26N4O3S/c1-16-10-11-21(33-4)20(14-16)29-22-23(34-26-27-17(2)15-18(3)28-26)25(32)30(24(22)31)13-12-19-8-6-5-7-9-19/h5-11,14-15,29H,12-13H2,1-4H3