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

Systemtic Name: 7-(3-chloranylpropyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-chloropropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chloropropyl)-1,3-dimethyl-xanthine Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3