Molecule ID: 86344

IUPAC Name: 1-methyl-3-propyl-7H-purine-2,6-dione

Description: The molecule is an oxopurine that is 1-methyl-7H-xanthine in which the hydrogen attached to the nitrogen at position 3 has been replaced by a propyl group. It has a role as a bronchodilator agent. It derives from a 1-methyl-7H-xanthine and an enprofylline.

SMILES: CCCn1c(=O)n(C)c(=O)c2nc[nH]c21

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

InChI: InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 69.3 Ų
- LogP: 1.0