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

Systemtic Name: 8-chloranyl-7-(2-ethylhexyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-ethylhexyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(2-ethylhexyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(2-ethylhexyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-ethylhexyl)-1,3-dimethyl-xanthine Formula: C15H23ClN4O2 MolecularWeight: 326.82172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCC(CC)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H23ClN4O2/c1-5-7-8-10(6-2)9-20-11-12(17-14(20)16)18(3)15(22)19(4)13(11)21/h10H,5-9H2,1-4H3