5-[(1R)-1-(3-nitrophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxo-3-(2-thienyl)propyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxo-3-thiophen-2-ylpropyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1R)-1-(3-nitrophenyl)-3-oxo-3-thiophen-2-ylpropyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1R)-3-keto-1-(3-nitrophenyl)-3-(2-thienyl)propyl]barbituric acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)C2=CC=CS2)C3C(=O)NC(=O)NC3=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@H](CC(=O)C2=CC=CS2)C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C17H13N3O6S/c21-12(13-5-2-6-27-13)8-11(9-3-1-4-10(7-9)20(25)26)14-15(22)18-17(24)19-16(14)23/h1-7,11,14H,8H2,(H2,18,19,22,23,24)/t11-/m0/s1