3,9-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 3,9-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 3,9-dimethyl-8-nitro-purine-2,6-dione CAS Name: 3,9-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 3,9-dimethyl-8-nitropurine-2,6-dione Traditional Name: 3,9-dimethyl-8-nitro-xanthine Formula: C7H7N5O4 MolecularWeight: 225.16158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(N2C)[N+](=O)[O-]

InChI

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