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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-methoxy-anilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-methoxyanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-methoxyanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-methoxy-anilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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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)OC)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN4O3S/c1-15-13-16(2)28-25(27-15)34-22-21(29-18-9-10-20(33-3)19(26)14-18)23(31)30(24(22)32)12-11-17-7-5-4-6-8-17/h4-10,13-14,29H,11-12H2,1-3H3