5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-butylindolin-5-yl)methylene]-1-(4-iodophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-butylindolin-5-yl)methylene]-1-(4-iodophenyl)barbituric acid Formula: C23H22IN3O3 MolecularWeight: 515.34355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I

Isomeric SMILES

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C23H22IN3O3/c1-2-3-11-26-12-10-16-13-15(4-9-20(16)26)14-19-21(28)25-23(30)27(22(19)29)18-7-5-17(24)6-8-18/h4-9,13-14H,2-3,10-12H2,1H3,(H,25,28,30)