(5E)-1-hexyl-5-[(1-propylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-hexyl-5-[(1-propylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-hexyl-5-[(1-propylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-hexyl-5-[(1-propyl-3-indolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-hexyl-5-[(1-propylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-hexyl-5-[(1-propylindol-3-yl)methylene]barbituric acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CCC)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CCC)/C(=O)NC1=O

InChI

InChI=1S/C22H27N3O3/c1-3-5-6-9-13-25-21(27)18(20(26)23-22(25)28)14-16-15-24(12-4-2)19-11-8-7-10-17(16)19/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3,(H,23,26,28)/b18-14+