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1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name:1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione
Openeye Name:1,3,9-trimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione
CAS Name:1,3,9-trimethyl-8-(2-pyrimidinylthio)purine-2,6-dione
IUPAC Name:1,3,9-trimethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
Traditional Name:1,3,9-trimethyl-8-(2-pyrimidylthio)xanthine
Formula: C12H12N6O2S
MolecularWeight: 304.32768
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3=NC=CC=N3


Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3=NC=CC=N3


InChI

InChI=1S/C12H12N6O2S/c1-16-8-7(9(19)18(3)12(20)17(8)2)15-11(16)21-10-13-5-4-6-14-10/h4-6H,1-3H3


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