8-bromanyl-1,3-dimethyl-7-[(2R)-1-oxidanylidene-1-phenyl-heptan-2-yl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[(2R)-1-oxidanylidene-1-phenyl-heptan-2-yl]purine-2,6-dione Openeye Name: 7-[(1R)-1-benzoylhexyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[(2R)-1-oxo-1-phenylheptan-2-yl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[(2R)-1-oxo-1-phenylheptan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-1-benzoylhexyl]-8-bromo-1,3-dimethyl-xanthine Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCCC[C@H](C(=O)C1=CC=CC=C1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H23BrN4O3/c1-4-5-7-12-14(16(26)13-10-8-6-9-11-13)25-15-17(22-19(25)21)23(2)20(28)24(3)18(15)27/h6,8-11,14H,4-5,7,12H2,1-3H3/t14-/m1/s1