8-bromanyl-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]xanthine Formula: C12H13BrN6O2S2 MolecularWeight: 417.30462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NN=C(S1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C12H13BrN6O2S2/c1-6-15-16-11(23-6)22-5-4-19-7-8(14-10(19)13)17(2)12(21)18(3)9(7)20/h4-5H2,1-3H3