5-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2,5-dimethoxy-4-pyrrolidino-benzylidene)-1-(2-furfuryl)barbituric acid Formula: C22H23N3O6 MolecularWeight: 425.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)OC)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)OC)N4CCCC4

InChI

InChI=1S/C22H23N3O6/c1-29-18-12-17(24-7-3-4-8-24)19(30-2)11-14(18)10-16-20(26)23-22(28)25(21(16)27)13-15-6-5-9-31-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,23,26,28)