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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[2-(1-piperidyl)ethylsulfanyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(2-piperidinoethylthio)xanthine Formula: C16H25N5O2S MolecularWeight: 351.467

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O2S/c1-4-21-12-13(18(2)16(23)19(3)14(12)22)17-15(21)24-11-10-20-8-6-5-7-9-20/h4-11H2,1-3H3