8-(4-bromanyl-2-fluoranyl-phenyl)-7-butyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-bromanyl-2-fluoranyl-phenyl)-7-butyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-bromo-2-fluoro-phenyl)-7-butyl-3-isobutyl-purine-2,6-dione CAS Name: 8-(4-bromo-2-fluorophenyl)-7-butyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-bromo-2-fluorophenyl)-7-butyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-bromo-2-fluoro-phenyl)-7-butyl-3-isobutyl-xanthine Formula: C19H22BrFN4O2 MolecularWeight: 437.305983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=C(C=C(C=C3)Br)F)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(N=C1C3=C(C=C(C=C3)Br)F)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C19H22BrFN4O2/c1-4-5-8-24-15-17(25(10-11(2)3)19(27)23-18(15)26)22-16(24)13-7-6-12(20)9-14(13)21/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,26,27)