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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C)C

InChI

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