1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid

CAS Registry Number®

1672-28-2

CAS Name

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid

Molecular Formula

C10H14N4O5S

Molecular Mass

302.31

Cite this Page

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1672-28-2 (retrieved 2024-11-22) (CAS RN: 1672-28-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    35-60 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H14N4O5S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-3-5-20(17,18)19/h6H,3-5H2,1-2H3,(H,17,18,19)

InChIKey

InChIKey=RSTSVFVCHWLPHQ-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

Canonical SMILES

O=C1C2=C(N=CN2CCCS(=O)(=O)O)N(C(=O)N1C)C

Other Names for this Substance

  • 7H-Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • Purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid
  • 7-Theophyllinepropanesulfonic acid
  • Theophyllinepropanesulfonic acid

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