8-[[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]methyl]-3-butyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-[[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]methyl]-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-methyl-purine-2,6-dione CAS Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-methylpurine-2,6-dione IUPAC Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-methylpurine-2,6-dione Traditional Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-methyl-xanthine Formula: C18H19BrF3N5O2 MolecularWeight: 474.27497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC(=C(C=C3)Br)C(F)(F)F)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC(=C(C=C3)Br)C(F)(F)F)C

InChI

InChI=1S/C18H19BrF3N5O2/c1-3-4-7-27-15-14(16(28)25-17(27)29)26(2)13(24-15)9-23-10-5-6-12(19)11(8-10)18(20,21)22/h5-6,8,23H,3-4,7,9H2,1-2H3,(H,25,28,29)