8-(5-bromanyl-2-fluoranyl-phenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(5-bromanyl-2-fluoranyl-phenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(5-bromo-2-fluoro-phenyl)-3,7-diisobutyl-purine-2,6-dione CAS Name: 8-(5-bromo-2-fluorophenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(5-bromo-2-fluorophenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(5-bromo-2-fluoro-phenyl)-3,7-diisobutyl-xanthine Formula: C19H22BrFN4O2 MolecularWeight: 437.305983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=C(C=CC(=C3)Br)F)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=C(C=CC(=C3)Br)F)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C19H22BrFN4O2/c1-10(2)8-24-15-17(25(9-11(3)4)19(27)23-18(15)26)22-16(24)13-7-12(20)5-6-14(13)21/h5-7,10-11H,8-9H2,1-4H3,(H,23,26,27)