8-bromanyl-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C12H11BrN6O2S MolecularWeight: 383.22374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC=CC=N3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC=CC=N3

InChI

InChI=1S/C12H11BrN6O2S/c1-18-8-7(9(20)17-12(18)21)19(10(13)16-8)5-6-22-11-14-3-2-4-15-11/h2-4H,5-6H2,1H3,(H,17,20,21)