7-(2-chloroethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chloroethyl)-3-methyl-xanthine Formula: C8H9ClN4O2 MolecularWeight: 228.63566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCl

InChI

InChI=1S/C8H9ClN4O2/c1-12-6-5(7(14)11-8(12)15)13(3-2-9)4-10-6/h4H,2-3H2,1H3,(H,11,14,15)