8-bromanyl-9-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H20BrN5O3 MolecularWeight: 422.2764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C

InChI

InChI=1S/C17H20BrN5O3/c1-6-22-9(2)7-11(10(22)3)12(24)8-23-14-13(19-16(23)18)15(25)21(5)17(26)20(14)4/h7H,6,8H2,1-5H3