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

Systemtic Name: 8-bromanyl-3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-(4-methylthiazol-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-[(4-methyl-2-thiazolyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[2-[(4-methylthiazol-2-yl)thio]ethyl]xanthine Formula: C12H12BrN5O2S2 MolecularWeight: 402.28998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CSC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C12H12BrN5O2S2/c1-6-5-22-12(14-6)21-4-3-18-7-8(15-10(18)13)17(2)11(20)16-9(7)19/h5H,3-4H2,1-2H3,(H,16,19,20)