7-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-xanthine Formula: C15H13ClN4O4 MolecularWeight: 348.74112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C15H13ClN4O4/c1-18-13-12(14(21)19(2)15(18)22)20(6-17-13)5-8-3-10-11(4-9(8)16)24-7-23-10/h3-4,6H,5,7H2,1-2H3