1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-butyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-butyl-3-propyl-purine-2,6-dione Openeye Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-butyl-3-propyl-purine-2,6-dione CAS Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-butyl-3-propylpurine-2,6-dione IUPAC Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-butyl-3-propylpurine-2,6-dione Traditional Name: 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-7-butyl-3-propyl-xanthine Formula: C21H23BrN6O3 MolecularWeight: 487.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC3=NN=C(O3)C4=CC=CC=C4Br

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H23BrN6O3/c1-3-5-11-26-13-23-18-17(26)20(29)28(21(30)27(18)10-4-2)12-16-24-25-19(31-16)14-8-6-7-9-15(14)22/h6-9,13H,3-5,10-12H2,1-2H3