8-bromanyl-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C15H17BrN6O2S MolecularWeight: 425.30348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C15H17BrN6O2S/c1-8-7-9(2)18-14(17-8)25-6-5-22-10-11(19-13(22)16)20(3)15(24)21(4)12(10)23/h7H,5-6H2,1-4H3