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

Systemtic Name: 3-[(2,4-dimethoxyphenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(2,4-dimethoxyanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(2,4-dimethoxyanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(2,4-dimethoxyanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(2,4-dimethoxyanilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H26N4O4S MolecularWeight: 490.57404

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)NC4=C(C=C(C=C4)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4S/c1-16-14-17(2)28-26(27-16)35-23-22(29-20-11-10-19(33-3)15-21(20)34-4)24(31)30(25(23)32)13-12-18-8-6-5-7-9-18/h5-11,14-15,29H,12-13H2,1-4H3