7-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C16H13ClN4O5 MolecularWeight: 376.75122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13ClN4O5/c1-19-13-12(14(23)20(2)16(19)24)21(15(17)18-13)6-9(22)8-3-4-10-11(5-8)26-7-25-10/h3-5H,6-7H2,1-2H3