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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]xanthine Formula: C14H15BrN6O2S MolecularWeight: 411.2769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H15BrN6O2S/c1-8-4-5-16-13(17-8)24-7-6-21-9-10(18-12(21)15)19(2)14(23)20(3)11(9)22/h4-5H,6-7H2,1-3H3