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

Systemtic Name: 3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-anilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(4-chloro-2-methoxy-5-methylanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-chloro-2-methoxy-5-methylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-anilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H25ClN4O3S MolecularWeight: 509.0197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H25ClN4O3S/c1-15-12-20(21(34-4)14-19(15)27)30-22-23(35-26-28-16(2)13-17(3)29-26)25(33)31(24(22)32)11-10-18-8-6-5-7-9-18/h5-9,12-14,30H,10-11H2,1-4H3