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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(4-isopropylanilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 3-cumidino-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C27H28N4O2S MolecularWeight: 472.60182

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=CC=C(C=C4)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-17(2)21-10-12-22(13-11-21)30-23-24(34-27-28-18(3)16-19(4)29-27)26(33)31(25(23)32)15-14-20-8-6-5-7-9-20/h5-13,16-17,30H,14-15H2,1-4H3