8-bromanyl-9-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-(2-keto-2-p-phenetyl-ethyl)-1,3-dimethyl-xanthine Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C17H17BrN4O4/c1-4-26-11-7-5-10(6-8-11)12(23)9-22-14-13(19-16(22)18)15(24)21(3)17(25)20(14)2/h5-8H,4,9H2,1-3H3