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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(4-ethanoylphenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-acetylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(4-acetylanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-acetylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-acetylanilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H24N4O3S MolecularWeight: 472.55876

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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)C(=O)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(=O)C)C

InChI

InChI=1S/C26H24N4O3S/c1-16-15-17(2)28-26(27-16)34-23-22(29-21-11-9-20(10-12-21)18(3)31)24(32)30(25(23)33)14-13-19-7-5-4-6-8-19/h4-12,15,29H,13-14H2,1-3H3