7-(4-azanyl-2-chloranyl-phenyl)-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(4-azanyl-2-chloranyl-phenyl)-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-amino-2-chloro-phenyl)-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(4-amino-2-chlorophenyl)-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-amino-2-chlorophenyl)-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-amino-2-chloro-phenyl)-8-chloro-1,3-dimethyl-xanthine Formula: C13H11Cl2N5O2 MolecularWeight: 340.16474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N5O2/c1-18-10-9(11(21)19(2)13(18)22)20(12(15)17-10)8-4-3-6(16)5-7(8)14/h3-5H,16H2,1-2H3