1-butyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-butyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-butyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-[(2-methylsulfanylpyrimidin-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-butyl-5-[[2-(methylthio)pyrimidin-5-yl]methylene]barbituric acid Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN=C(N=C2)SC)C(=O)NC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CN=C(N=C2)SC)C(=O)NC1=O

InChI

InChI=1S/C14H16N4O3S/c1-3-4-5-18-12(20)10(11(19)17-14(18)21)6-9-7-15-13(22-2)16-8-9/h6-8H,3-5H2,1-2H3,(H,17,19,21)