7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloroethyl)-1,3-dimethyl-xanthine Formula: C9H11ClN4O2 MolecularWeight: 242.66224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

InChI

InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3