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3,7-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione

3,7-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione

Systemtic Name:3,7-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Openeye Name:3,7-dimethyl-8-[2-(1-piperidyl)ethylsulfanyl]purine-2,6-dione
CAS Name:3,7-dimethyl-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione
IUPAC Name:3,7-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Traditional Name:3,7-dimethyl-8-(2-piperidinoethylthio)xanthine
Formula: C14H21N5O2S
MolecularWeight: 323.41384
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)NC2=O)C


Isomeric SMILES

CN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)NC2=O)C


InChI

InChI=1S/C14H21N5O2S/c1-17-10-11(18(2)13(21)16-12(10)20)15-14(17)22-9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H,16,20,21)


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