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

Systemtic Name: 8-azido-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-azido-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 8-azido-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-azido-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 8-azido-1,3-dimethyl-7-propargyl-xanthine Formula: C10H9N7O2 MolecularWeight: 259.22416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N7O2/c1-4-5-17-6-7(12-9(17)13-14-11)15(2)10(19)16(3)8(6)18/h1H,5H2,2-3H3