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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione Traditional Name: 8-bromo-9-[2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C)C

InChI

InChI=1S/C19H21BrN4O3/c1-9-7-10(2)12(4)14(11(9)3)13(25)8-24-16-15(21-18(24)20)17(26)23(6)19(27)22(16)5/h7H,8H2,1-6H3