3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-1-(2-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=CC=C3OC)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=CC=C3OC)O

InChI

InChI=1S/C19H21N3O5S/c1-3-4-7-11-16(24)20-19(21-17(11)25)28-14-10-15(23)22(18(14)26)12-8-5-6-9-13(12)27-2/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H2,20,21,24,25)