8-chloranyl-7-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H14Cl2N4O4 MolecularWeight: 397.21276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C16H14Cl2N4O4/c1-20-13-11(14(23)21(2)16(20)24)22(15(18)19-13)7-8-5-9(17)12-10(6-8)25-3-4-26-12/h5-6H,3-4,7H2,1-2H3