Phenobarbital impurity B

58042-96-9

CAS Name

6-Amino-5-ethyl-5-phenyl-2,4(3H,5H)-pyrimidinedione

Molecular Formula

C₁₂H₁₃N₃O₂

Molecular Mass

231.25

Compound Properties

• Melting Point (1)

  264 °C

Source(s)

• (1) Chamberlain, J. S.; Journal of the American Chemical Society, (1935), 57, 352-4, CAplus

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O2/c1-2-12(8-6-4-3-5-7-8)9(13)14-11(17)15-10(12)16/h3-7H,2H2,1H3,(H3,13,14,15,16,17)

InChIKey

InChIKey=HUYKEYWPDBRCSH-UHFFFAOYSA-N

SMILES

C(C)C1(C(N)=NC(=O)NC1=O)C2=CC=CC=C2

Canonical SMILES

O=C1N=C(N)C(C(=O)N1)(C=2C=CC=CC2)CC

Other Names for this Substance