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

Systemtic Name: 5-[(hexylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(hexylamino)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(hexylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(hexylamino)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(hexylamino)methylene]-1-phenyl-barbituric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-2-3-4-8-11-18-12-14-15(21)19-17(23)20(16(14)22)13-9-6-5-7-10-13/h5-7,9-10,12,18H,2-4,8,11H2,1H3,(H,19,21,23)