1,3-dimethyl-8-nitro-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-7-prop-2-ynyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-7-prop-2-ynylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-7-propargyl-xanthine Formula: C10H9N5O4 MolecularWeight: 263.20956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC#C

InChI

InChI=1S/C10H9N5O4/c1-4-5-14-6-7(11-9(14)15(18)19)12(2)10(17)13(3)8(6)16/h1H,5H2,2-3H3