Molecule ID: 1676

IUPAC Name: 3-propyl-7H-purine-2,6-dione

Description: The molecule is xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. It has a role as a non-steroidal anti-inflammatory drug, a bronchodilator agent, an anti-asthmatic drug and an anti-arrhythmia drug.

SMILES: CCCn1c(=O)nc(O)c2nc[nH]c21

SELFIES: [C][C][C][N][C][=Branch1][C][=O][N][=C][Branch1][C][O][C][N][=C][NH1][C][=Ring1][Branch1][Ring1][O]

InChI: InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)

Molecular Properties:
- Polar Surface Area: 78.1 Ų
- LogP: 0.3