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Substance Name: Barbituric acid, 5-(2-(dimethylamino)ethyl)-1-(p-methoxyphenyl)-2-thio-, hemihydrate
ID: CQ40160000
InChIKey: HMGAJWODDHRJRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N3-O3-S.1/2H2-O

Molecular Weight

  • 660.813
 
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Names and Synonyms

Synonym

  • 5-(2-(Dimethylamino)ethyl)-1-(p-methoxyphenyl)-2-thiobarbituric acid hemihydrate

Systematic Name

  • Barbituric acid, 5-(2-(dimethylamino)ethyl)-1-(p-methoxyphenyl)-2-thio-, hemihydrate

Registry Numbers

ID Number

  • NIOSH/CQ4016000

System Generated Number

  • CQ40160000

Molecular Formulas

Molecular Formula

  • C15-H19-N3-O3-S.1/2H2-O

Molecular Formula Fragments

  • C15-H19-N3-O3-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C15H19N3O3S.H2O/c2*1-17(2)9-8-12-13(19)16-15(22)18(14(12)20)10-4-6-11(21-3)7-5-10;/h2*4-7,12H,8-9H2,1-3H3,(H,16,19,22);1H2

InChIKey

HMGAJWODDHRJRC-UHFFFAOYSA-N

Smiles

O.COc1ccc(cc1)N2C(=S)NC(=O)C(CCN(C)C)C2=O.COc3ccc(cc3)N4C(=S)NC(=O)C(CCN(C)C)C4=O