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

Systemtic Name: 3-[(4-bromophenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-bromoanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(4-bromoanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-bromoanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-bromoanilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C24H21BrN4O2S MolecularWeight: 509.41814

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O2S/c1-15-14-16(2)27-24(26-15)32-21-20(28-19-10-8-18(25)9-11-19)22(30)29(23(21)31)13-12-17-6-4-3-5-7-17/h3-11,14,28H,12-13H2,1-2H3