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

Systemtic Name: 8-bromanyl-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]xanthine Formula: C11H11BrN6O2S2 MolecularWeight: 403.27804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C11H11BrN6O2S2/c1-5-15-16-11(22-5)21-4-3-18-6-7(13-9(18)12)17(2)10(20)14-8(6)19/h3-4H2,1-2H3,(H,14,19,20)