5-[[3-(2-ethylhexoxy)propylamino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[3-(2-ethylhexoxy)propylamino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-(2-ethylhexoxy)propylamino]methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(2-ethylhexoxy)propylamino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-(2-ethylhexoxy)propylamino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[3-(2-ethylhexoxy)propylamino]methylene]-1-phenyl-barbituric acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O4/c1-3-5-10-17(4-2)16-29-14-9-13-23-15-19-20(26)24-22(28)25(21(19)27)18-11-7-6-8-12-18/h6-8,11-12,15,17,23H,3-5,9-10,13-14,16H2,1-2H3,(H,24,26,28)