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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-phenyl-purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-phenyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-phenylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-phenyl-xanthine Formula: C13H11ClN4O2 MolecularWeight: 290.70504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O2/c1-16-10-9(11(19)17(2)13(16)20)18(12(14)15-10)8-6-4-3-5-7-8/h3-7H,1-2H3