8-chloranyl-7-[(6-chloranylpyridin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(6-chloranylpyridin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(6-chloro-3-pyridyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(6-chloropyridin-3-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(6-chloro-3-pyridyl)methyl]-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)CC3=CN=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CN=C(C=C3)Cl

InChI

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