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

Systemtic Name: 7-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H15ClN4O4 MolecularWeight: 362.7677

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C16H15ClN4O4/c1-19-14-12(15(22)20(2)16(19)23)21(7-18-14)5-9-3-11(17)4-10-6-24-8-25-13(9)10/h3-4,7H,5-6,8H2,1-2H3