8-(chloromethyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(chloromethyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-1,3,7-trimethyl-xanthine Formula: C9H11ClN4O2 MolecularWeight: 242.66224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCl

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCl

InChI

InChI=1S/C9H11ClN4O2/c1-12-5(4-10)11-7-6(12)8(15)14(3)9(16)13(7)2/h4H2,1-3H3