8-chloranyl-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-phenethyl-xanthine Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C15H15ClN4O2/c1-18-12-11(13(21)19(2)15(18)22)20(14(16)17-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3