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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[(2R)-1-oxidanylidene-1-phenyl-hexan-2-yl]purine-2,6-dione Openeye Name: 7-[(1R)-1-benzoylpentyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[(2R)-1-oxo-1-phenylhexan-2-yl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[(2R)-1-oxo-1-phenylhexan-2-yl]purine-2,6-dione Traditional Name: 7-[(1R)-1-benzoylpentyl]-8-bromo-1,3-dimethyl-xanthine Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O3/c1-4-5-11-13(15(25)12-9-7-6-8-10-12)24-14-16(21-18(24)20)22(2)19(27)23(3)17(14)26/h6-10,13H,4-5,11H2,1-3H3/t13-/m1/s1