The compound with the SMILES representation of Nc1c(N)c(N)c2c(N)nnc(N)c2c1N has a nuclear repulsion energy at the PBE level of theory of 653.40945 Hartree.
The {#molecule|compound|chemical|molecular species|chemical compound!} with the {SMILES__description} {#representation of |!}{SMILES#} has a {nuclearRepulsionEnergy__names__noun} of {nuclearRepulsionEnergy#} {nuclearRepulsionEnergy__units}.