7-[2-(1,3-benzodioxol-4-yl)-2-oxidanylidene-ethyl]-8-bromanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzodioxol-4-yl)-2-oxidanylidene-ethyl]-8-bromanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzodioxol-4-yl)-2-oxo-ethyl]-8-bromo-3-methyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzodioxol-4-yl)-2-oxoethyl]-8-bromo-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzodioxol-4-yl)-2-oxoethyl]-8-bromo-3-methylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzodioxol-4-yl)-2-keto-ethyl]-8-bromo-3-methyl-xanthine Formula: C15H11BrN4O5 MolecularWeight: 407.17564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=C4C(=CC=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C15H11BrN4O5/c1-19-12-10(13(22)18-15(19)23)20(14(16)17-12)5-8(21)7-3-2-4-9-11(7)25-6-24-9/h2-4H,5-6H2,1H3,(H,18,22,23)