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

Systemtic Name: 8-chloranyl-1-(2-chloroethyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-1-(2-chloroethyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1-(2-chloroethyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-1-(2-chloroethyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-chloro-1-(2-chloroethyl)-3,7-dimethyl-xanthine Formula: C9H10Cl2N4O2 MolecularWeight: 277.1073

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCCl)C

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CCCl)C

InChI

InChI=1S/C9H10Cl2N4O2/c1-13-5-6(12-8(13)11)14(2)9(17)15(4-3-10)7(5)16/h3-4H2,1-2H3