8-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]-1,3,7-trimethyl-xanthine Formula: C14H12BrN7O2S MolecularWeight: 422.25978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=NC=C(C=C4N3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=NC=C(C=C4N3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H12BrN7O2S/c1-20-8-10(21(2)14(24)22(3)11(8)23)19-13(20)25-12-17-7-4-6(15)5-16-9(7)18-12/h4-5H,1-3H3,(H,16,17,18)