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

Systemtic Name: 7-butyl-3-methyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[2-(1-piperidyl)ethylsulfanyl]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-(2-piperidinoethylthio)xanthine Formula: C17H27N5O2S MolecularWeight: 365.49358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O2S/c1-3-4-10-22-13-14(20(2)16(24)19-15(13)23)18-17(22)25-12-11-21-8-6-5-7-9-21/h3-12H2,1-2H3,(H,19,23,24)