5-(2-hydroxyethylsulfanyl)-1,3-dimethyl-5-[(4-nitrophenyl)amino]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(2-hydroxyethylsulfanyl)-1,3-dimethyl-5-[(4-nitrophenyl)amino]-1,3-diazinane-2,4,6-trione Openeye Name: 5-(2-hydroxyethylsulfanyl)-1,3-dimethyl-5-(4-nitroanilino)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(2-hydroxyethylthio)-1,3-dimethyl-5-(4-nitroanilino)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(2-hydroxyethylsulfanyl)-1,3-dimethyl-5-(4-nitroanilino)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-hydroxyethylthio)-1,3-dimethyl-5-(4-nitroanilino)barbituric acid Formula: C14H16N4O6S MolecularWeight: 368.36504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)(NC2=CC=C(C=C2)[N+](=O)[O-])SCCO

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)(NC2=CC=C(C=C2)[N+](=O)[O-])SCCO

InChI

InChI=1S/C14H16N4O6S/c1-16-11(20)14(25-8-7-19,12(21)17(2)13(16)22)15-9-3-5-10(6-4-9)18(23)24/h3-6,15,19H,7-8H2,1-2H3