5-[(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(6-thiomorpholinopyridin-1-ium-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(6-thiomorpholin-4-yl-3-pyridin-1-iumyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(6-thiomorpholinopyridin-1-ium-3-yl)methylene]barbituric acid Formula: C14H15N4O3S+ MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=[NH+]C=C(C=C2)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1CSCCN1C2=[NH+]C=C(C=C2)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C14H14N4O3S/c19-12-10(13(20)17-14(21)16-12)7-9-1-2-11(15-8-9)18-3-5-22-6-4-18/h1-2,7-8H,3-6H2,(H2,16,17,19,20,21)/p+1