This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C13H17N7
Canonical SMILES:
CC(n1cnc2c1ncnc2NCCc1nc[nH]c1)C
InChI:
InChI=1S/C13H17N7/c1-9(2)20-8-19-11-12(17-7-18-13(11)20)15-4-3-10-5-14-6-16-10/h5-9H,3-4H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKey:
XQPQVJCRSFETLW-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 