5-[(prop-2-ynylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(prop-2-ynylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(prop-2-ynylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(prop-2-ynylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(prop-2-ynylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(propargylamino)methylene]barbituric acid Formula: C8H7N3O3 MolecularWeight: 193.15948

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC=C1C(=O)NC(=O)NC1=O

Isomeric SMILES

C#CCNC=C1C(=O)NC(=O)NC1=O

InChI

InChI=1S/C8H7N3O3/c1-2-3-9-4-5-6(12)10-8(14)11-7(5)13/h1,4,9H,3H2,(H2,10,11,12,13,14)