3,7-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 3,7-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-nitropurine-2,6-dione Traditional Name: 3,7-dimethyl-8-nitro-xanthine Formula: C7H7N5O4 MolecularWeight: 225.16158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C7H7N5O4/c1-10-3-4(8-6(10)12(15)16)11(2)7(14)9-5(3)13/h1-2H3,(H,9,13,14)