5-ethyl-5-phenyl-1,3-diazinane-4,6-dione; 2-oxidanylethanesulfonic acid

Systemtic Name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione; 2-oxidanylethanesulfonic acid Openeye Name: 5-ethyl-5-phenyl-hexahydropyrimidine-4,6-dione; 2-hydroxyethanesulfonic acid CAS Name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione; 2-hydroxyethanesulfonic acid IUPAC Name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione; 2-hydroxyethanesulfonic acid Traditional Name: 5-ethyl-5-phenyl-hexahydropyrimidine-4,6-quinone; 2-hydroxyethanesulfonic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NCNC1=O)C2=CC=CC=C2.C(CS(=O)(=O)O)O

Isomeric SMILES

CCC1(C(=O)NCNC1=O)C2=CC=CC=C2.C(CS(=O)(=O)O)O

InChI

InChI=1S/C12H14N2O2.C2H6O4S/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16;3-1-2-7(4,5)6/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16);3H,1-2H2,(H,4,5,6)