1-(3-chloranyl-4-methyl-phenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]pyrrolidine-2,5-quinone Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)O

InChI

InChI=1S/C18H18ClN3O4S/c1-3-4-11-15(24)20-18(21-16(11)25)27-13-8-14(23)22(17(13)26)10-6-5-9(2)12(19)7-10/h5-7,13H,3-4,8H2,1-2H3,(H2,20,21,24,25)