7-(2-Cyanoethyl)-theophylline

• Synonyms:

  1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanenitrile; 3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)propanenitrile

• Hazard Statement:

  No Data Available

• Smiles:

  NC1=NC(=O)c2ncn(COC(CO)CCl)c2N1

• Molecular Formula:

  C9 H12 Cl N5 O3

• Molecular Weight:

  273.676

• InChI:

  InChI=1S/C9H12ClN5O3/c10-1-5(2-16)18-4-15-3-12-6-7(15)13-9(11)14-8(6)17/h3,5,16H,1-2,4H2,(H3,11,13,14,17)

• Additionnal Information:

  IUPAC name: 2-amino-9-[(1-chloro-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one

• Shipping Conditions:

  Room Temperature

• CAS Number:

  1811-38-7