1-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[1-(4-bromophenyl)-2-imidazolyl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[[1-(4-bromophenyl)imidazol-2-yl]thio]propyl]-3,7-dimethyl-xanthine Formula: C19H19BrN6O2S MolecularWeight: 475.36216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=CN3C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=CN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H19BrN6O2S/c1-23-12-22-16-15(23)17(27)26(19(28)24(16)2)9-3-11-29-18-21-8-10-25(18)14-6-4-13(20)5-7-14/h4-8,10,12H,3,9,11H2,1-2H3