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

Systemtic Name: 3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]-1-(4-phenoxyphenyl)pyrrolidine-2,5-quinone Formula: C23H21N3O5S MolecularWeight: 451.49494

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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)OC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C23H21N3O5S/c1-2-6-17-20(28)24-23(25-21(17)29)32-18-13-19(27)26(22(18)30)14-9-11-16(12-10-14)31-15-7-4-3-5-8-15/h3-5,7-12,18H,2,6,13H2,1H3,(H2,24,25,28,29)