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

CAS Registry Number®

1811-38-7
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CAS Name

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

Molecular Formula

C10H11N5O2

Molecular Mass

233.23

Cite this Page

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1811-38-7 (retrieved 2024-09-07) (CAS RN: 1811-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11N5O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3,5H2,1-2H3

InChIKey

InChIKey=KAVJVVVIFOIZKM-UHFFFAOYSA-N

SMILES

C(CC#N)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

Canonical SMILES

N#CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Other Names for this Substance

  • 7H-Purine-7-propanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • Purine-7-propionitrile, 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-propanenitrile
  • Theophylline, 7-(2-cyanoethyl)-
  • NSC 521012

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