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

Systemtic Name: 1-butyl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[(1-butylindolin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[(1-butylindolin-5-yl)methylene]barbituric acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-3-5-10-23-12-9-16-13-15(7-8-18(16)23)14-17-19(25)22-21(27)24(20(17)26)11-6-4-2/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,22,25,27)