8-(2-chloranyl-1-methoxy-ethyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(2-chloranyl-1-methoxy-ethyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-chloro-1-methoxy-ethyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(2-chloro-1-methoxyethyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2-chloro-1-methoxyethyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(2-chloro-1-methoxy-ethyl)-1,3,7-trimethyl-xanthine Formula: C11H15ClN4O3 MolecularWeight: 286.7148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(CCl)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(CCl)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H15ClN4O3/c1-14-7-9(13-8(14)6(5-12)19-4)15(2)11(18)16(3)10(7)17/h6H,5H2,1-4H3