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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C12H13BrN6O2S2/c1-6-16-17-12(23-6)22-5-3-4-19-7-8(14-10(19)13)18(2)11(21)15-9(7)20/h3-5H2,1-2H3,(H,15,20,21)