5-[[2-(thiophen-2-ylmethylsulfanyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-(thiophen-2-ylmethylsulfanyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-(2-thienylmethylsulfanyl)ethylamino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(thiophen-2-ylmethylthio)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-(thiophen-2-ylmethylsulfanyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2-(2-thenylthio)ethylamino]methylene]barbituric acid Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCCNC=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=CSC(=C1)CSCCNC=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C12H13N3O3S2/c16-10-9(11(17)15-12(18)14-10)6-13-3-5-19-7-8-2-1-4-20-8/h1-2,4,6,13H,3,5,7H2,(H2,14,15,16,17,18)