8-chloranyl-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione Openeye Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione CAS Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione Traditional Name: 8-chloro-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-quinone Formula: C13H15ClN4O2 MolecularWeight: 294.7368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)Cl

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)Cl

InChI

InChI=1S/C13H15ClN4O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H,15,16)