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

Systemtic Name: 8-chloranyl-7-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H16Cl2N4O4 MolecularWeight: 411.23934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C17H16Cl2N4O4/c1-21-14-12(15(24)22(2)17(21)25)23(16(19)20-14)8-9-6-10(18)13-11(7-9)26-4-3-5-27-13/h6-7H,3-5,8H2,1-2H3