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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C18H19N3O5S MolecularWeight: 389.42556

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-3-4-12-15(23)19-18(20-16(12)24)27-13-9-14(22)21(17(13)25)10-5-7-11(26-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H2,19,20,23,24)