1-(4-chlorophenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-chlorophenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(hexylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(hexylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-[(hexylamino)methylene]barbituric acid Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-2-3-4-5-10-19-11-14-15(22)20-17(24)21(16(14)23)13-8-6-12(18)7-9-13/h6-9,11,19H,2-5,10H2,1H3,(H,20,22,24)