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

Systemtic Name: 8-bromanyl-3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl]xanthine Formula: C13H15BrN6O2S2 MolecularWeight: 431.3312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(C)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=NN=C(S1)SCC(C)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C13H15BrN6O2S2/c1-6(5-23-13-18-17-7(2)24-13)4-20-8-9(15-11(20)14)19(3)12(22)16-10(8)21/h6H,4-5H2,1-3H3,(H,16,21,22)