1,3-dimethyl-5-(2-nitrophenyl)sulfanyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-(2-nitrophenyl)sulfanyl-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-(2-nitrophenyl)sulfanyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(2-nitrophenyl)thio]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-(2-nitrophenyl)sulfanyl-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[(2-nitrophenyl)thio]barbituric acid Formula: C12H11N3O5S MolecularWeight: 309.29784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S/c1-13-10(16)9(11(17)14(2)12(13)18)21-8-6-4-3-5-7(8)15(19)20/h3-6,9H,1-2H3