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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-propargyl-xanthine Formula: C10H9ClN4O2 MolecularWeight: 252.65706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC#C

InChI

InChI=1S/C10H9ClN4O2/c1-4-5-15-6-7(12-9(15)11)13(2)10(17)14(3)8(6)16/h1H,5H2,2-3H3