5-[[1-(4-nitrophenyl)ethylamino]-oxidanyl-methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(4-nitrophenyl)ethylamino]-oxidanyl-methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[hydroxy-[1-(4-nitrophenyl)ethylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[hydroxy-[1-(4-nitrophenyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[hydroxy-[1-(4-nitrophenyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[hydroxy-[1-(4-nitrophenyl)ethylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=C2C(=O)NC(=S)NC2=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=C2C(=O)NC(=S)NC2=O)O

InChI

InChI=1S/C13H12N4O5S/c1-6(7-2-4-8(5-3-7)17(21)22)14-10(18)9-11(19)15-13(23)16-12(9)20/h2-6,14,18H,1H3,(H2,15,16,19,20,23)