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

Systemtic Name: 8-bromanyl-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-3-methyl-xanthine Formula: C14H15BrN6O2S MolecularWeight: 411.2769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C14H15BrN6O2S/c1-7-6-8(2)17-13(16-7)24-5-4-21-9-10(18-12(21)15)20(3)14(23)19-11(9)22/h6H,4-5H2,1-3H3,(H,19,22,23)