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

Systemtic Name: 7-(4-azanyl-2-chloranyl-phenyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-amino-2-chloro-phenyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(4-amino-2-chlorophenyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-amino-2-chlorophenyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-amino-2-chloro-phenyl)-1,3-dimethyl-xanthine Formula: C13H12ClN5O2 MolecularWeight: 305.71968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O2/c1-17-11-10(12(20)18(2)13(17)21)19(6-16-11)9-4-3-7(15)5-8(9)14/h3-6H,15H2,1-2H3